SCHEMBL3344440

SCHEMBL3344440

Cc1ccc(-c2ccnn2C)cc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
PIK3CA P42336 1/20 0.52
PIK3CB P42338 1/20 0.52
PI4KA P42356 1/20 0.52
PIK3CG P48736 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PKMYT1 Q99640 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL18985917 0.86 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL25551409 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3341045 0.80 NR3C2 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13036111 0.79 NISCH (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL27975555 0.79 BRD4 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18518468 0.79 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL20439019 0.78 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL12492615 0.78 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL1226389 0.78 P2RX7 (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL24497540 0.77 KDM5A (0.52) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-23 US disclosed
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-03-25 US disclosed
WO-2017125530-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-07-27 WO disclosed
US-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 PIK3CD 3158/4885PIK3CA 1866/4885PIK3CB 3229/4885
US-20210087182-A1 NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB PIK3CD 479/4885PIK3CA 661/4885PIK3CB 379/4885
US-11180487-B2 Substituted cyanoindoline derivatives as NIK inhibitors NFKBIA, MAP3K14, IKBKG PIK3CD 407/4885PIK3CA 657/4885PIK3CB 467/4885

“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.