SCHEMBL4367250

SCHEMBL4367250

CSc1nccc(Oc2ccc(N)c(N)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.56
GAA P10253 1/20 0.56
NR4A1 P22736 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HASPIN Q8TF76 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F10 P00742 2/20 0.32
DYRK3 O43781 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL2762836 0.87 HTT (0.59) HTTGAANR4A1MEN1KMT2A
SCHEMBL2028873 0.87 HTT (0.55) HTTGAANR4A1MEN1KMT2A
SCHEMBL2762749 0.87 HTT (0.52) HTTGAANR4A1MEN1KMT2A
SCHEMBL2762667 0.83 HTT (0.56) HTTGAAMEN1KMT2ALMNA
SCHEMBL4363839 0.77 NR4A1 (0.46) NR4A1KDR
SCHEMBL9121662 0.76 HTT (0.59) HTTGAAMEN1KMT2ALMNA
SCHEMBL8685696 0.75 HTT (0.54) HTTGAAMEN1KMT2AKDR
SCHEMBL2763413 0.74 HTT (0.50) HTTGAAMEN1KMT2ALMNA
SCHEMBL22401858 0.74 GAA (0.47) HTTGAAMEN1KMT2ALMNA
SCHEMBL4361885 0.74 NR4A1 (0.43) NR4A1KDRLMNASMN1; SMN2

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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
EP-1638954-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC. (US) 2006-03-29 EP disclosed
US-20040209892-A1 Heterocyclic compounds and methods of use U.S. PATENT OPERATIONS 2004-10-21 US disclosed
WO-2004085425-A1 FUSED AZOLES SUCH AS 2,5-DISUBSTITUTED BENZIMIDAZOLES, BENZOXAZOLES AND BENZOTHIAZOLES AS KINASE INHIBITORS AMGEN INC (US) 2004-10-07 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-20040209892-A1 Heterocyclic compounds and methods of use VHL, NQO1, HPGDS HTT 1040/4885GAA 172/4885NR4A1 2382/4885

“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.