SCHEMBL971743

SCHEMBL971743

Brc1ccc(-c2cn3cccnc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 1.00
KDM4E B2RXH2 13/20 1.00
RAB9A P51151 13/20 1.00
NPC1 O15118 10/20 1.00
GAA P10253 8/20 1.00
HPGD P15428 7/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
MAPT P10636 5/20 1.00
HSD17B10 Q99714 3/20 1.00
TP53 P04637 1/20 1.00
GLA P06280 6/20 0.73
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
POLB P06746 4/20 0.67
CYP1A2 P05177 1/20 0.59
GFER P55789 1/20 0.58
CDC7 O00311 1/20 0.56
DAPK3 O43293 1/20 0.56
DYRK3 O43781 1/20 0.56
ROCK2 O75116 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5305847 0.85 ALDH1A1 (0.76) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL3671367 0.85 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL1692157 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL9298339 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL14646388 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL1494735 0.84 RAB9A (1.00) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL12970202 0.84 ALDH1A1 (0.73) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL17626882 0.84 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL9560123 0.83 ALDH1A1 (0.78) ALDH1A1KDM4ERAB9ANPC1GAA
SCHEMBL21705594 0.81 RAB9A (0.73) ALDH1A1KDM4ERAB9ANPC1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638675-B1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AG (DE) 2024-04-17 EP disclosed
US-20230329100-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2022-01-20 US disclosed
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
EP-2581365-B1 Heterocyclic compound, organic light-emitting diode comprising the heterocyclic compound, and flat panel display device comprising the organic light-emitting diode SAMSUNG DISPLAY CO LTD (KR) 2019-10-16 EP disclosed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
US-9780313-B2 Carbazole-based compound and organic light-emitting device including the same SASMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-9780313-B2 Carbazole-based compound and organic light-emitting device including the same SASMSUNG DISPLAY CO., LTD. (KR) 2017-10-03 US disclosed
US-20100039029-A1 Organic Light Emitting Diode Including Light-Efficiency-Improvement Layer SAMSUNG DISPLAY CO., LTD. (KR) 2010-02-18 US disclosed
US-20100039029-A1 Organic Light Emitting Diode Including Light-Efficiency-Improvement Layer SAMSUNG DISPLAY CO., LTD. (KR) 2010-02-18 US disclosed
EP-1970376-B1 Imidazopyrimidine-based compound and organic light-emitting device employing organic layer including the same SAMSUNG MOBILE DISPLAY CO LTD (KR) 2009-11-18 EP disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-06-18 US disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
US-20080226945-A1 IMIDAZOPYRIMIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING ORGANIC LAYER INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2008-09-18 US disclosed
US-20080226945-A1 IMIDAZOPYRIMIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING ORGANIC LAYER INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2008-09-18 US disclosed
EP-1970376-A1 Imidazopyrimidine-based compound and organic light-emitting device employing organic layer including the same Samsung SDI Co., Ltd. (KR) 2008-09-17 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230329100-A1 LIGHT EMITTING ELEMENT AND AMINE COMPOUND FOR THE SAME SAT1, SLC1A2, SLC18A1 ALDH1A1 121/4885KDM4E 897/4885RAB9A 2664/4885
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 ALDH1A1 1483/4885KDM4E 1380/4885RAB9A 4077/4885
US-20090153035-A1 Heteroaromatic cycle-containing compound, method of preparing the same and organic light emitting device comprising the same CCNE2, CCNC, CCNT1 ALDH1A1 337/4885KDM4E 2044/4885RAB9A 3359/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 ALDH1A1 1542/4885KDM4E 1415/4885RAB9A 4140/4885
US-20220017540-A1 DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS HIF1AN, QDPR, HNMT ALDH1A1 645/4885KDM4E 2052/4885RAB9A 4465/4885
US-20080226945-A1 IMIDAZOPYRIMIDINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING ORGANIC LAYER INCLUDING THE SAME TPMT, DPYD, TYMP ALDH1A1 458/4885KDM4E 1056/4885RAB9A 3527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.