SCHEMBL8963997

SCHEMBL8963997

O=C(Nc1ccccc1)c1cnc(C(=O)c2cncc(Br)c2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 4/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ROCK2 O75116 1/20 0.52
GAA P10253 1/20 0.52
ALOX12 P18054 1/20 0.52
ROCK1 Q13464 1/20 0.52
PTPN1 P18031 1/20 0.50
KDR P35968 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TSHR P16473 1/20 0.46
EGFR P00533 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL485711 0.80 MEN1 (0.82) MEN1KMT2AHTTALOX15ALDH1A1
SCHEMBL9008065 0.79 ATR (0.48) PTPN1MAPT
SCHEMBL11925388 0.76 PTPN1 (0.61) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL2952630 0.71 HTT (1.00) MEN1KMT2AHTTALOX15ALDH1A1
SCHEMBL12455939 0.69 PTPN1 (0.59) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL486005 0.69 MEN1 (0.63) MEN1KMT2AHTTALOX15ALDH1A1
SCHEMBL11925387 0.69 PTPN1 (0.59) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL11925386 0.69 PTPN1 (0.59) MEN1KMT2AHTTALDH1A1GAA
SCHEMBL15140299 0.69 HTT (1.00) MEN1KMT2AHTTALDH1A1ROCK2
SCHEMBL12076670 0.69 ALDH1A1 (0.70) MEN1KMT2AHTTALOX15ALDH1A1

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 MEN1 1427/4885KMT2A 1042/4885HTT 983/4885

“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.