SCHEMBL15980690

SCHEMBL15980690

Cc1cc(-c2ccnn2C)cc(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ICMT O60725 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
COMT P21964 1/20 0.37

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
SCHEMBL15984882 0.85 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15980642 0.76 NOS3 (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18483005 0.72 COMT (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19531882 0.72 CYP11B2 (0.45) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL16579462 0.71 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19531966 0.71 MAPT (0.41) LMNASMN1; SMN2MAPT
SCHEMBL19531817 0.71 KDM5B (0.36) LMNATLR8TLR7
SCHEMBL18471231 0.71 NT5E (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15980689 0.70 KDM5A (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19531846 0.70 KMT2A (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK PIK3CD 176/4885PIK3CA 232/4885PIK3CB 118/4885

“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.