SCHEMBL3590422

SCHEMBL3590422

CCN1CCc2nc(N)sc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 1.00
RECQL P46063 1/20 1.00
MAPT P10636 7/20 0.55
DRD2 P14416 4/20 0.55
DRD3 P35462 3/20 0.55
LMNA P02545 2/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 2/20 0.55
HTR2A P28223 2/20 0.55
ADRA1A P35348 2/20 0.55
HRH1 P35367 2/20 0.55
OPRK1 P41145 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 4/20 0.54
GRM5 P41594 2/20 0.53
KCNH2 Q12809 1/20 0.49
GAA P10253 4/20 0.48
KMT2A Q03164 5/20 0.46

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
SCHEMBL563307 0.88 RAD52 (0.79) RAD52RECQLMAPTDRD2DRD3
Hydrochloric Acid SCHEMBL10652670 0.87 RAD52 (0.77) RAD52RECQLMAPTDRD2DRD3
SCHEMBL16286090 0.81 RAD52 (0.69) RAD52RECQLMAPTDRD2LMNA
SCHEMBL6369558 0.81 RAD52 (0.69) RAD52RECQLMAPTLMNAHRH3
SCHEMBL15014914 0.81 RAD52 (0.69) RAD52RECQLMAPTDRD2LMNA
SCHEMBL17933933 0.81 RAD52 (0.68) RAD52RECQLMAPTDRD2DRD3
SCHEMBL19820797 0.78 RAD52 (0.64) RAD52RECQLMAPTDRD2DRD3
SCHEMBL23475123 0.78 RAD52 (0.63) RAD52RECQLMAPTDRD2LMNA
SCHEMBL2700638 0.78 RAD52 (0.63) RAD52RECQLMAPTLMNAHRH3
SCHEMBL13494247 0.78 RAD52 (0.63) RAD52RECQLMAPTHRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450271-B Ureas, amino and substituted heteroaryl compounds for Cbl-b inhibition 纽力克斯治疗公司 2024-09-20 CN disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
WO-2016112863-A1 N-SUBSTITUTED-3,5-DISUBSTITUTED BENZAMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF 中国科学院上海药物研究所 2016-07-21 WO disclosed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 US 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 RAD52 2412/4885RECQL 880/4885MAPT 295/4885

“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.