SCHEMBL3346933

SCHEMBL3346933

Cc1ccc(-c2cnccn2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PI4KA P42356 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CYP11B1 P15538 1/20 0.48
NTRK1 P04629 1/20 0.46
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PIM2 Q9P1W9 3/20 0.43
PIM1 P11309 2/20 0.43
PIM3 Q86V86 1/20 0.43
CHEK1 O14757 1/20 0.43
NPC1 O15118 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
SCHEMBL2406176 0.84 NPC1 (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2559473 0.79 KMO (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28188713 0.79 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3342851 0.77 CYP11B1 (0.46) CYP11B1NTRK1NPC1RAB9AALDH1A1
SCHEMBL7236570 0.77 CCR1 (0.55) CYP11B1NTRK1NPC1RAB9AALDH1A1
SCHEMBL18518453 0.77 ALDH1A1 (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3346928 0.76 SIRT3 (0.53) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL7399345 0.76 CYP2D6 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2409087 0.76 PIM1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL21044391 0.76 ALOX5AP (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 PIK3CD 3158/4885PIK3CA 1866/4885PIK3CB 3229/4885

“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.