SCHEMBL14851191

SCHEMBL14851191

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ S1PR2 O95136 1/20 0.46
▸ KDM5B Q9UGL1 1/20 0.46
▸ PIM1 P11309 2/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ LRRK2 Q5S007 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ MAP4K1 Q92918 2/20 0.40
▸ ACLY P53396 1/20 0.40
▸ EGFR P00533 2/20 0.39

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
SCHEMBL16155872 0.87 MAPT (0.48) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL16561216 0.84 MAPT (0.45) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL14851064 0.82 LRRK2 (0.46) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL15980641 0.80 NOS3 (0.43) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL21311122 0.79 CHEK1 (0.57) MAPTS1PR2KDM5BPIM1CHEK1
SCHEMBL15984746 0.79 ERN1 (0.44) MAPTPIM1FGFR3KDRLRRK2
SCHEMBL19531857 0.78 MAPT (0.41) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL19531971 0.78 KDM5A (0.46) MAPTS1PR2KDM5BPIM1FGFR3
SCHEMBL13354417 0.78 CHEK1 (0.55) MAPTKDM5BPIM1FGFR3KDR
SCHEMBL16561269 0.77 MAPT (0.41) MAPTKDM5BPIM1FGFR3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440970-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-09-13 — — 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-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-05-14 — — US disclosed
US-8980889-B2 Pyrazole derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-03-17 — — US disclosed
US-20140243336-A1 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors MERCK SHARP & DOHME LLC 2014-08-28 — — US 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 (2 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 MAPT 3752/4885S1PR2 134/4885KDM5B 313/4885
US-20150133448-A1 NOVEL PYRAZOLE DERIVATIVE PDE10A, PDE3A, PDE5A MAPT 75/4885S1PR2 3925/4885KDM5B 1133/4885

“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.

Send feedback