SCHEMBL15980641

SCHEMBL15980641

Cc1cc(-c2cnn(C)c2)nc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ S1PR2 O95136 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ PFKFB3 Q16875 3/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ FGFR3 P22607 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ KDM5A P29375 2/20 0.40
▸ ACLY P53396 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ CHEK1 O14757 1/20 0.38

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
SCHEMBL16153730 0.87 KDM5B (0.42) MAPTKDM5BPFKFB3PIM1FGFR3
SCHEMBL14851191 0.80 MAPT (0.49) S1PR2MAPTKDM5BPIM1FGFR3
SCHEMBL13086517 0.79 CHEK1 (0.51) MAPTKDM5BPIM1FGFR3KDR
SCHEMBL15980689 0.77 KDM5A (0.45) MAPTKDM5BPFKFB3KDM5A
SCHEMBL14851064 0.77 LRRK2 (0.46) NOS3NOS1NOS2S1PR2MAPT
SCHEMBL19531971 0.76 KDM5A (0.46) S1PR2MAPTKDM5BPFKFB3PIM1
SCHEMBL13086863 0.74 PIM1 (0.44) MAPTKDM5BPIM1FGFR3KDR
SCHEMBL19531880 0.73 NOS3 (0.46) NOS3NOS1NOS2PIM1KDM5A
SCHEMBL27316794 0.72 PFKFB3 (0.44) PFKFB3KDM5AACLYLRRK2
SCHEMBL16155872 0.71 MAPT (0.48) S1PR2MAPTKDM5BPIM1FGFR3

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.

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