SCHEMBL7920974

SCHEMBL7920974

Cc1cc2[nH]nc(C)c2cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.47
ADORA2B P29275 1/20 0.47
MAPK1 P28482 15/20 0.40
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL1640905 0.83 PDPK1 (0.46) MAPK1
SCHEMBL7920977 0.83 ADORA2A (0.47) ADORA2AADORA2BMAPK1CYP1A2TSHR
SCHEMBL29425164 0.80 MAPK1 (0.35) ADORA2AADORA2BMAPK1CYP1A2
SCHEMBL29562995 0.80 ADORA2A (0.44) ADORA2AADORA2BMAPK1CYP1A2
SCHEMBL16580770 0.80 ADORA2A (0.44) ADORA2AADORA2BMAPK1CYP1A2
SCHEMBL24046744 0.80 ADORA2A (0.44) ADORA2AADORA2BMAPK1CYP1A2TSHR
SCHEMBL16516902 0.80 MAPK1 (0.35) ADORA2AADORA2BMAPK1CYP1A2
SCHEMBL20018656 0.77 MAPK1 (0.64) MAPK1
SCHEMBL16867222 0.75 ADORA2A (0.67) ADORA2AADORA2BMAPK1CYP1A2TSHR
SCHEMBL16517231 0.74 PRKAG1 (0.44) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393916-A1 NITROGEN-CONTAINING HETEROCYCLIC DERIVATIVE INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Hansoh Biomedical Co., Ltd. (CN) 2024-07-03 EP disclosed
WO-2023220046-A1 TYK2 INHIBITORS BIOGEN MA INC. (US) 2023-11-16 WO disclosed
WO-2021254493-A1 CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF 上海翊石医药科技有限公司 2021-12-23 WO disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB ADORA2A 3691/4885ADORA2B 3995/4885MAPK1 347/4885

“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.