SCHEMBL15980642

SCHEMBL15980642

Cc1cc(-c2ccnn2C)nc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
COMT P21964 1/20 0.38
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CCNT1 O60563 4/20 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
SCHEMBL15984805 0.80 CYP11B1 (0.43) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL16775698 0.79 COMT (0.39) CYP11B1CYP11B2COMTALDH1A1KDM4E
SCHEMBL13086700 0.77 CYP11B1 (0.40) CYP11B1CYP11B2COMTALDH1A1KDM4E
SCHEMBL14844634 0.77 NOS2 (0.42) NOS3NOS1NOS2CYP11B1CYP11B2
SCHEMBL15980690 0.76 PIK3CD (0.40) COMTALDH1A1KDM4ENPC1LMNA
SCHEMBL13086427 0.74 CYP11B1 (0.40) CYP11B1CYP11B2COMTALDH1A1MAPT
SCHEMBL20676353 0.70 COMT (0.40) CYP11B1CYP11B2COMTALDH1A1MAPT
SCHEMBL6662711 0.70 NOS2 (0.70) NOS3NOS1NOS2ALDH1A1LMNA
SCHEMBL18483005 0.70 COMT (0.46) CYP11B1CYP11B2COMTALDH1A1KDM4E
SCHEMBL13086432 0.69 COMT (0.39) COMTALDH1A1KDM4ENPC1LMNA

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 NOS3 1005/4885NOS1 981/4885NOS2 771/4885

“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.