SCHEMBL2016189

SCHEMBL2016189

CC(=O)c1cc(Cl)c2cn(C)nc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.35
KCNH2 Q12809 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MAPK1 P28482 1/20 0.31
GPR35 Q9HC97 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DHODH Q02127 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL2038486 0.75 MAPK1 (0.36) GRIN2BKCNH2MAOAMAOBMAPK1
SCHEMBL15621463 0.71 MAPK1 (0.34) KCNH2MAPK1GPR35SMN1; SMN2DHODH
SCHEMBL18817241 0.71 CYP3A4 (0.37) ADORA3ADORA2AMAPK1ALDH1A1MAPT
SCHEMBL2038476 0.71 MAP4K1 (0.34) MAOBMAPK1GPR35DHODH
SCHEMBL9929035 0.68 MAPK1 (0.32) MAOAMAOBMAPK1DHODH
SCHEMBL2166032 0.68 MAPK1 (0.32) GRIN2BMAPK1ALDH1A1MAPTDHODH
SCHEMBL9929276 0.66 MAPK1 (0.33) KCNH2MAPK1SMN1; SMN2DHODHLMNA
SCHEMBL9929195 0.66 POLB (0.33) MAPK1DHODHPOLB
SCHEMBL2015003 0.66 PIK3CD (0.46) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL9929024 0.66 CSNK1A1 (0.37) ADORA3ADORA2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 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-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 GRIN2B 2647/4885KCNH2 2542/4885ADORA3 1276/4885

“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.