Sugi Predict

Sugi Predict / Compounds / SCHEMBL9010731

SCHEMBL9010731

SCHEMBL9010731

Nc1ncc(Br)cc1C(=O)c1cccc(NCCN2CCCCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ BRSK1 Q8TDC3 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ ATR Q13535 4/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TLR7 Q9NYK1 2/20 0.38
▸ BMPR1B O00238 1/20 0.38
▸ BMPR1A P36894 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MAP4K4 O95819 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL9013391 0.93 BMPR1B (0.39) PIM1FLT3PIM3BRSK1AURKB
SCHEMBL9011666 0.91 EGFR (0.42) ATRMAP4K4
SCHEMBL13857165 0.89 PIM1 (0.41) PIM1FLT3PIM3BRSK1AURKB
SCHEMBL8964799 0.81 PHF13 (0.50) PIM1FLT3PIM3BRSK1AURKB
SCHEMBL9010927 0.81 ATR (0.38) ATRGAA
SCHEMBL8965113 0.77 PRKCQ (0.55) PRKCQ
SCHEMBL8969734 0.77 PRKCQ (0.55) PRKCQ
SCHEMBL8965112 0.76 TDO2 (0.40) PRKCQ
SCHEMBL9010807 0.76 PRKCQ (0.54) PIM1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL15930766 0.75 PKM (0.50) KDM4EGAA

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 PIM1 425/4885FLT3 330/4885PIM3 442/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM1 425/4885FLT3 330/4885PIM3 442/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 PIM1 425/4885FLT3 330/4885PIM3 442/4885

“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.