SCHEMBL2749751

SCHEMBL2749751

N#Cc1cccc2cc(O)ncc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
SYK P43405 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
GRM4 Q14833 1/20 0.37
CHEK1 O14757 1/20 0.37
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
SOS2 Q07890 1/20 0.34
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
MAP4K1 Q92918 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL2748021 0.86 HTT (0.53) HTTCA1CA2SYKNCOA3
SCHEMBL28558647 0.79 HTT (0.49) HTTCA1CA2NCOA3GRM4
SCHEMBL28035287 0.76 IDO1 (0.61) IDO1TDO2ESR1ESR2KDM4E
SCHEMBL18322219 0.75 HTT (0.53) HTTCA1CA2NCOA3GRM4
SCHEMBL818940 0.73 HTT (0.52) HTTCA1CA2NCOA3GRM4
SCHEMBL2749558 0.73 CYP1A2 (0.47) IDO1TDO2KDM4EALDH1A1
SCHEMBL2747921 0.73 IDO1 (0.41) HTTSYKIDO1TDO2KDM4E
SCHEMBL2748752 0.73 CHEK1 (0.46) IDO1TDO2CHEK1KDM4EALDH1A1
SCHEMBL112288 0.73 ESR2 (0.49) HTTCA1CA2ESR1ESR2
SCHEMBL1397048 0.73 IDO1 (0.41) SYKIDO1TDO2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 HTT 2661/4885CA1 3293/4885CA2 931/4885

“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.