Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894950

SCHEMBL6894950

SCHEMBL6894950

Nc1c(Br)c(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 8/20 0.42
▸ DDB1 Q16531 6/20 0.42
▸ BRD4 O60885 2/20 0.35
▸ CREBBP Q92793 2/20 0.35
▸ CCNC P24863 2/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ CDK19 Q9BWU1 2/20 0.34
▸ EGFR P00533 3/20 0.33
▸ FGFR2 P21802 3/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OGFRL1 Q5TC84 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 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
SCHEMBL6891856 0.94 BRD4 (0.36) CRBNDDB1BRD4CREBBPEGFR
SCHEMBL6893490 0.91 CRBN (0.42) CRBNDDB1BRD4CREBBPCCNC
SCHEMBL6894944 0.86 CDK8 (0.42) CRBNDDB1BRD4CREBBPCCNC
SCHEMBL6893682 0.85 CHEK1 (0.37) CRBNDDB1BRD4CREBBPCCNC
SCHEMBL6894488 0.85 CRBN (0.44) CRBNDDB1BRD4CREBBPCCNC
SCHEMBL6894858 0.82 CDK8 (0.43) CCNCCDK8CDK19
SCHEMBL10234160 0.82 CCNC (0.40) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6894908 0.82 CHEK1 (0.48) CCNCCDK8CDK19
SCHEMBL6894450 0.81 CRBN (0.42) CRBNDDB1BRD4CREBBPCCNC
SCHEMBL6893297 0.80 CRBN (0.39) CRBNDDB1BRD4CREBBPCCNC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-05-10 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
WO-2010118207-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS SCHERING CORPORATION (US) 2010-10-14 — — WO 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 (2 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-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 CRBN 1562/4885DDB1 615/4885BRD4 1555/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CRBN 2219/4885DDB1 956/4885BRD4 1117/4885

“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.