SCHEMBL14844692

SCHEMBL14844692

Nc1cccc(-c2cn(Cc3ccccc3)nn2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.60
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GSK3B P49841 3/20 0.49
ROCK2 O75116 3/20 0.49
CDK2 P24941 3/20 0.49
AURKA O14965 2/20 0.49
CHUK O15111 2/20 0.49
MAPK13 O15264 2/20 0.49
DAPK3 O43293 2/20 0.49
JAK2 O60674 2/20 0.49
CHEK2 O96017 2/20 0.49
PRKCG P05129 2/20 0.49
CDK1 P06493 2/20 0.49
FGFR1 P11362 2/20 0.49
PRKACA P17612 2/20 0.49
MARK3 P27448 2/20 0.49
MAPK1 P28482 2/20 0.49
AKT1 P31749 2/20 0.49
CSNK1D P48730 2/20 0.49

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
SCHEMBL22510634 0.84 CYP19A1 (0.82) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL15984801 0.82 CYP19A1 (0.60) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL15980637 0.79 CYP19A1 (0.56) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL16864593 0.77 CYP19A1 (0.61) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL2190292 0.77 CYP19A1 (0.66) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL15836586 0.76 CYP19A1 (0.93) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL935182 0.76 CYP19A1 (1.00) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL16539592 0.76 CYP19A1 (0.79) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL28593627 0.75 CYP19A1 (0.72) CYP19A1NPC1RAB9AGSK3BROCK2
SCHEMBL453620 0.75 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
EP-2763976-B1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
US-9216173-B2 2-Pyridyl carboxamide-containing spleen tyrosine kinase (SYK) inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-22 US disclosed
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
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 US disclosed
EP-2763976-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-08-13 EP disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
WO-2013052394-A1 2-PYRIDYL CARBOXAMIDE-CONTAINING SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 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-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors SYK, BTK, LCK CYP19A1 3753/4885NPC1 3845/4885RAB9A 3653/4885

“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.