Sugi Predict

Sugi Predict / Compounds / SCHEMBL8965112

SCHEMBL8965112

SCHEMBL8965112

Nc1ncc(Br)cc1C(=O)c1cccc(NC[C@H]2CCCC[C@@H]2O)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDO2 P48775 9/20 0.40
▸ IDO1 P14902 7/20 0.40
▸ CYP2C9 P11712 1/20 0.38
▸ IRAK1 P51617 2/20 0.35
▸ LDHA P00338 1/20 0.35
▸ LDHB P07195 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ PRKCQ Q04759 5/20 0.34
▸ CCNT1 O60563 1/20 0.33
▸ OPRK1 P41145 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
SCHEMBL9010731 0.76 PIM1 (0.43) PRKCQ
SCHEMBL9010927 0.76 ATR (0.38) —
SCHEMBL9013391 0.76 BMPR1B (0.39) PRKCQ
SCHEMBL15930766 0.75 PKM (0.50) —
SCHEMBL9011666 0.73 EGFR (0.42) CCNT1
SCHEMBL1479539 0.72 HTT (0.39) PRKCQ
SCHEMBL8965341 0.71 OPRK1 (0.40) PRKCQOPRK1
SCHEMBL1481581 0.70 HTT (0.37) PRKCQ
SCHEMBL8965137 0.70 PRKCQ (0.41) PRKCQ
SCHEMBL8964816 0.69 PRKCQ (0.52) PRKCQOPRK1

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 10 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-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 TDO2 4296/4885IDO1 3415/4885CYP2C9 3533/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 TDO2 4296/4885IDO1 3415/4885CYP2C9 3533/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 TDO2 4296/4885IDO1 3415/4885CYP2C9 3533/4885

“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.