SCHEMBL3021383

SCHEMBL3021383

Cc1cnc(N)nc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 17/20 0.59
ADORA2A P29274 12/20 0.57
GRM4 Q14833 1/20 0.51
LMNA P02545 1/20 0.49
ADORA2B P29275 1/20 0.47

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
SCHEMBL21121006 0.85 BCL6 (0.48) ADORA1ADORA2AGRM4
SCHEMBL21121007 0.85 KMT2A (0.47) ADORA1ADORA2AGRM4
SCHEMBL10936938 0.83 ADORA1 (0.58) ADORA1ADORA2AGRM4LMNA
SCHEMBL29539989 0.82 CYP2A6 (0.57) ADORA1ADORA2A
SCHEMBL21121008 0.81 ADORA1 (0.42) ADORA1ADORA2AGRM4
SCHEMBL7147862 0.81 ADORA1 (0.57) ADORA1ADORA2ALMNA
SCHEMBL2611837 0.80 MAPT (0.57) LMNA
SCHEMBL14127720 0.80 ADORA1 (0.61) ADORA1ADORA2ALMNA
SCHEMBL4045846 0.80 NEK2 (0.48) ADORA1ADORA2A
SCHEMBL3425059 0.79 ADORA2A (0.56) ADORA1ADORA2AGRM4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105399685-B The alternatively preparation method and applications of the heteroaromatic compounds of property JAK3 and/or JAK1 kinase inhibitors 深圳微芯生物科技有限责任公司 2018-05-22 CN claimed
US-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF JILIN UNIVERSITY (CN) 2026-05-07 US disclosed
EP-4725485-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF Jilin University (CN) 2026-04-15 EP disclosed
CN-119285557-A CD97 and GSDME interaction inhibitor with anti-tumor activity and application thereof 吉林大学 2025-01-10 CN disclosed
CN-105399685-B The alternatively preparation method and applications of the heteroaromatic compounds of property JAK3 and/or JAK1 kinase inhibitors 深圳微芯生物科技有限责任公司 2018-05-22 CN disclosed
EP-2166860-B1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA CELLULAR THERAPIES INC (US) 2016-09-21 EP disclosed
US-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF LI PENG (US) 2016-03-17 US disclosed
US-9062023-B2 Heterocycle compounds and uses thereof INTRA-CELLULAR THERAPIES, INC. (US) 2015-06-23 US disclosed
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. 2010-07-22 US disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
EP-2166860-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF Intra-Cellular Therapies, Inc. (US) 2010-03-31 EP disclosed
WO-2008153974-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF INTRA-CELLULAR THERAPIES, INC. (US) 2008-12-18 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 (3 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-20160075683-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, BACE1, PYGB ADORA1 681/4885ADORA2A 953/4885GRM4 4022/4885
US-20100184778-A1 NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF APP, PYGB, BACE1 ADORA1 884/4885ADORA2A 918/4885GRM4 4002/4885
US-20260124202-A1 CD97 AND GSDME INTERACTION INHIBITOR HAVING ANTI-TUMOR ACTIVITY AND APPLICATION THEREOF GZMB, CD74, GSDMD ADORA1 1820/4885ADORA2A 1870/4885GRM4 1860/4885

“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.