SCHEMBL73966

SCHEMBL73966

c1ccn2c3c(cc2c1)CCCC3

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
KDM4E B2RXH2 2/20 0.31
CHEK1 O14757 1/20 0.31
LIMK1 P53667 1/20 0.31
MAPK14 Q16539 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KIF11 P52732 1/20 0.30

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
Hydrochloric Acid SCHEMBL10916201 0.98 TSHR (0.38) TSHRSMN1; SMN2HPGDMAPTRAB9A
SCHEMBL231853 0.74 PLAU (0.49) MAPTALDH1A1KDM4E
SCHEMBL7278399 0.72 MAOA (0.42) TSHRSMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL9387361 0.72 LMNA (0.47) TSHRSMN1; SMN2HPGDMAPTRAB9A
SCHEMBL9386839 0.71 CYP1A2 (0.39) KDM4E
SCHEMBL1991216 0.71 GBA1 (0.33) MAPTRAB9AL3MBTL1NPC1
SCHEMBL8324468 0.71 GBA1 (0.33) MAPTRAB9AL3MBTL1NPC1
SCHEMBL9387801 0.71 SLC6A2 (0.32)
SCHEMBL8447698 0.70 TBXAS1 (0.36) SMN1; SMN2MAPTRAB9AL3MBTL1NPC1
SCHEMBL8452787 0.70 TBXAS1 (0.36) SMN1; SMN2MAPTRAB9AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP claimed
US-20230120881-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS University of Hong Kong Versitech Limited (CN) 2023-04-20 US disclosed
EP-4122940-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS Versitech Limited (CN) 2023-01-25 EP disclosed
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-3489235-A1 TRICYCLIC COMPOUND AS CRTH2 INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2019-05-29 EP disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
EP-0384349-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1994-04-27 EP disclosed
EP-0540956-A1 Process for the manufacture of substituted maleimides F. HOFFMANN-LA ROCHE AG (CH) 1993-05-12 EP disclosed
US-5192770-A Antiemetic, anxiolytic, cognition activator SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed
US-5189041-A Gastrointestinal and nervous system disorders, cardiovascular disorders, analgesics SYNTEX (U.S.A.) INC. (US) 1993-02-23 US disclosed
EP-0490263-A1 Alpha-oxoacetamide derivatives SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
EP-0485962-A2 New tricyclic compounds SYNTEX (U.S.A.) INC. (US) 1992-05-20 EP disclosed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
EP-0279125-B1 TETRAHYDROPYRIDO(1,2-A)INDOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM - WUELFING GmbH & Co. KG (DE) 1992-04-29 EP disclosed
EP-0279125-A1 Tetrahydropyrido(1,2-a)indole derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM - WUELFING GmbH & Co. KG (DE) 1988-08-24 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 (2 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 TSHR 989/4885SMN1; SMN2 4823/4885HPGD 3455/4885
US-20230120881-A1 BINUCLEAR GOLD(I) COMPOUNDS FOR PHOTOCATALYSIS APPLICATIONS PPOX, AP3M1, AP2M1 TSHR 930/4885SMN1; SMN2 4866/4885HPGD 1994/4885

“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.