SCHEMBL6903361

SCHEMBL6903361

Cc1ccc(-c2nnc(N)o2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 1.00
NOTUM Q6P988 2/20 0.66
DGAT1 O75907 1/20 0.66
NPC1 O15118 13/20 0.65
RAB9A P51151 13/20 0.65
SMN1; SMN2 Q16637 7/20 0.62
HPGD P15428 3/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
POLB P06746 2/20 0.62
HSD17B10 Q99714 4/20 0.59
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 5/20 0.54
TP53 P04637 3/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL6015198 0.84 NPC1 (0.83) KDM4ENOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL120253 0.84 NPC1 (0.83) KDM4ENOTUMNPC1RAB9ASMN1; SMN2
Hydrazinecarboxamide SCHEMBL22471907 0.84 KDM4E (0.71) KDM4ENOTUMDGAT1NPC1RAB9A
SCHEMBL3173832 0.83 NPC1 (0.79) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL26673871 0.83 NPC1 (0.78) KDM4ENOTUMDGAT1NPC1RAB9A
SCHEMBL13231671 0.82 NPC1 (0.79) KDM4ENOTUMNPC1RAB9ASMN1; SMN2
SCHEMBL10103078 0.80 KDM4E (0.66) KDM4ENOTUMDGAT1NPC1RAB9A
SCHEMBL15718167 0.79 DGAT1 (1.00) KDM4ENOTUMDGAT1NPC1RAB9A
SCHEMBL20767009 0.79 NPC1 (0.72) KDM4ENOTUMDGAT1NPC1RAB9A
SCHEMBL12550898 0.79 KDM4E (0.66) KDM4ENOTUMDGAT1NPC1RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515801-A AIE fluorescent nano probe and preparation method thereof 苏州工业园区服务外包职业学院(苏州市服务外包人才培养实训中心) 2024-08-20 CN disclosed
WO-2023225327-A1 INDUCERS OF INTEGRATED STRESS RESPONSE TO TREAT CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-11-23 WO disclosed
US-20220281862-A1 Imidazopyridine and Oxazolopyridine Derivatives and Analogs Thereof, Methods of Preparation Thereof, Methods of HIF-2A Pathway Inhibition, and Induction of Ferroptosis KUDA Therapeutics, Inc. 2022-09-08 US disclosed
CN-110878106-B Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2022-05-03 CN disclosed
CN-109438433-B Myricetin derivative containing amide oxadiazole, preparation method and application thereof 贵州大学 2022-02-15 CN disclosed
CN-110627783-B Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2021-11-16 CN disclosed
WO-2020219287-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. (US) 2020-10-29 WO disclosed
CN-110878106-A Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2020-03-13 CN disclosed
CN-107216357-B Preparation method of Mannich base containing ferrocenyl oxadiazolyl 陕西科技大学 2020-02-21 CN disclosed
CN-110759955-A Preparation method of Mannich base containing ferrocenyl thiadiazole or oxadiazolyl 陕西科技大学 2020-02-07 CN disclosed
CN-110627783-A Preparation method of Schiff base containing carbazolyl and oxadiazolyl or thiadiazolyl 陕西科技大学 2019-12-31 CN disclosed
CN-109438433-A A kind of myricetin derivative, the preparation method and the usage of amide containing oxadiazoles 贵州大学 2019-03-08 CN disclosed
EP-2862856-B1 IMIDAZOLE AND TRIAZOLE COMPOUNDS AS DGAT-1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2018-08-01 EP disclosed
US-8865726-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors ARRAY BIOPHARMA INC. (US) 2014-10-21 US disclosed
WO-2011029027-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-10 WO 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 (1 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-20220281862-A1 Imidazopyridine and Oxazolopyridine Derivatives and Analogs Thereof, Methods of Preparation Thereof, Methods of HIF-2A Pathway Inhibition, and Induction of Ferroptosis HIF1AN, HIF1A, EGLN2 KDM4E 686/4885NOTUM 4790/4885DGAT1 4260/4885

“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.