Sugi Predict

Sugi Predict / Compounds / SCHEMBL9013391

SCHEMBL9013391

SCHEMBL9013391

Nc1ncc(Br)cc1C(=O)c1cccc(NCCCN2CCCC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BMPR1B O00238 1/20 0.39
▸ BMPR1A P36894 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVRL1 P37023 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ MKNK2 Q9HBH9 2/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BRSK1 Q8TDC3 1/20 0.39
▸ KDR P35968 3/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PRKD2 Q9BZL6 1/20 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
SCHEMBL9010731 0.93 PIM1 (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL9011666 0.86 EGFR (0.42) CLK4ALDH1A1EGFRATR
SCHEMBL13857165 0.82 PIM1 (0.41) HRH3PIM1PIM3AURKBMKNK2
SCHEMBL8965125 0.82 PHF13 (0.54) HRH3KDRPHF13L3MBTL3L3MBTL1
SCHEMBL9010927 0.80 ATR (0.38) MEN1ALDH1A1KMT2AEGFRATR
SCHEMBL8965112 0.76 TDO2 (0.40) PRKCQ
SCHEMBL9010807 0.75 PRKCQ (0.54) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL8964799 0.75 PHF13 (0.50) PIM1PIM3AURKBMKNK2FLT3
SCHEMBL15930766 0.75 PKM (0.50) L3MBTL1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8965113 0.74 PRKCQ (0.55) PRKCQ

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 8 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-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-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

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 BMPR1B 4054/4885BMPR1A 3942/4885TGFBR1 3726/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 BMPR1B 4054/4885BMPR1A 3942/4885TGFBR1 3726/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 BMPR1B 4054/4885BMPR1A 3942/4885TGFBR1 3726/4885

“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.