Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894488

SCHEMBL6894488

SCHEMBL6894488

Nc1cc(N2CCC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 9/20 0.44
▸ DDB1 Q16531 6/20 0.44
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CDK19 Q9BWU1 2/20 0.36
▸ SCN9A Q15858 5/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL6893297 0.95 CRBN (0.39) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6894450 0.95 CRBN (0.42) CRBNDDB1CCNCCDK8CDK19
SCHEMBL7874628 0.93 KDM4E (0.37) CRBNDDB1PIK3CAKDM4EMEN1
SCHEMBL6893490 0.85 CRBN (0.42) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6894950 0.85 CRBN (0.42) CRBNDDB1CCNCCDK8CDK19
SCHEMBL7882711 0.82 CRBN (0.40) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6894944 0.82 CDK8 (0.42) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6891842 0.81 CRBN (0.41) CRBNDDB1CCNCCDK8CDK19
SCHEMBL6894435 0.79 PIM1 (0.41) PIK3CAKDM4EMEN1NPC1ALDH1A1
SCHEMBL6891856 0.79 BRD4 (0.36) CRBNDDB1PIK3CAMEN1NPC1

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 615/4885CCNC 2243/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CRBN 2219/4885DDB1 956/4885CCNC 1911/4885

“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.