SCHEMBL9923338

SCHEMBL9923338

Cc1c(C#N)cnn2cccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.49
EPHB3 P54753 1/20 0.43
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
MAP2K1 Q02750 5/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.38
MAP4K4 O95819 3/20 0.38
TGFBR1 P36897 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IMPDH2 P12268 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL2991851 0.81 NPC1 (0.42) EPHB3JAK1TYK2NPC1RAB9A
SCHEMBL11303602 0.79 CDK2 (0.53) CDK2EPHB3JAK1TYK2MAP2K1
SCHEMBL1160390 0.79 CDK2 (0.49) CDK2EPHB3JAK1TYK2NPC1
SCHEMBL25776610 0.79 CDK2 (0.49) CDK2EPHB3JAK1TYK2MAP2K1
SCHEMBL12875621 0.79 CDK2 (0.41) CDK2EPHB3MAP2K1TSHRKMT2A
SCHEMBL1160399 0.79 CDK2 (0.49) CDK2EPHB3JAK1TYK2MAP2K1
SCHEMBL14017228 0.78 CDK2 (0.45) CDK2EPHB3JAK1TYK2MAP2K1
Hydrochloric Acid SCHEMBL29483244 0.78 CDK2 (0.51) CDK2EPHB3JAK1TYK2MAP2K1
Hydrochloric Acid SCHEMBL29516534 0.78 CDK2 (0.51) CDK2EPHB3JAK1TYK2MAP2K1
Bromide SCHEMBL29769300 0.78 CDK2 (0.51) CDK2EPHB3JAK1TYK2MAP2K1

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
WO-2023125803-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 北京鞍石生物科技有限责任公司 2023-07-06 WO disclosed
WO-2022091048-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-05-05 WO disclosed
EP-3102570-B1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-01-02 EP disclosed
US-9586969-B2 Microbiocidal heterobicyclic derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-03-07 US disclosed
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2016-12-08 US disclosed
US-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011014817-A1 PYRROLO [1, 2-B] PYRIDAZINE DERIVATIVES AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-02-03 WO disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 US disclosed
US-7432373-B2 Processes and intermediates useful for preparing fused heterocyclic kinase inhibitors BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-10-07 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 (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-20120149691-A1 Pyrrolo [1,2-b] Pyridazine Derivatives as Janus Kinase Inhibitors JAK1, JAK2, JAK3 CDK2 423/4885EPHB3 3982/4885JAK1 1/4885
US-20160355518-A1 MICROBIOCIDAL HETEROBICYCLIC DERIVATIVES MSR1, C1R, C3AR1 CDK2 2678/4885EPHB3 1336/4885JAK1 1559/4885

“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.