Sugi Predict

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SCHEMBL9010927

SCHEMBL9010927

Nc1ncc(Br)cc1C(=O)c1cccc(NCCNc2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 4/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM5 P41594 1/20 0.36
▸ SYK P43405 1/20 0.35
▸ SORT1 Q99523 2/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ DHFR P00374 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PRKCI P41743 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
SCHEMBL15930766 0.81 PKM (0.50) MEN1GAAKMT2AGRM5GFER
SCHEMBL9010731 0.81 PIM1 (0.43) ATRGAA
SCHEMBL9013391 0.80 BMPR1B (0.39) ATRMEN1KMT2AEGFRALDH1A1
SCHEMBL9011666 0.79 EGFR (0.42) ATREGFRALDH1A1
SCHEMBL15930668 0.79 HTT (0.51) MEN1KMT2AEGFRALDH1A1
SCHEMBL1481581 0.77 HTT (0.37) KMT2AGRM5
SCHEMBL1479539 0.76 HTT (0.39) ATRMEN1KMT2AGRM5ALDH1A1
SCHEMBL8965112 0.76 TDO2 (0.40) —
SCHEMBL8965137 0.74 PRKCQ (0.41) ATR
SCHEMBL1516765 0.71 MAPT (0.61) MEN1GAAKMT2AALDH1A1

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 7 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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 — — 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 (3 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 ATR 489/4885HDAC1 1400/4885MEN1 1427/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ATR 489/4885HDAC1 1400/4885MEN1 1427/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 ATR 489/4885HDAC1 1400/4885MEN1 1427/4885

“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.