Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894626

SCHEMBL6894626

SCHEMBL6894626

COc1cc(-c2cnn3c(N)cc(C4CCC(C(=O)O)NC4)nc23)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 13/20 0.48
▸ CCNA2 P20248 11/20 0.48
▸ CDK2 P24941 11/20 0.48
▸ CCNA1 P78396 11/20 0.48
▸ PIK3CA P42336 1/20 0.43
▸ RET P07949 4/20 0.40
▸ KIF5B P33176 4/20 0.40
▸ KDR P35968 4/20 0.40
▸ ETV6 P41212 3/20 0.40
▸ CCDC6 Q16204 3/20 0.40
▸ ABL1 P00519 2/20 0.39
▸ LCK P06239 2/20 0.39
▸ NPM1 P06748 2/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ LYN P07948 2/20 0.39
▸ PDGFRB P09619 2/20 0.39
▸ FGR P09769 2/20 0.39
▸ KIT P10721 2/20 0.39
▸ BCR P11274 2/20 0.39
▸ SRC P12931 2/20 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
SCHEMBL6893401 0.93 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1RET
SCHEMBL6894338 0.88 CHEK1 (0.52) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891587 0.86 CHEK1 (0.49) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL6893338 0.86 CHEK1 (0.53) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL6893351 0.85 CHEK1 (0.47) CHEK1CCNA2CDK2CCNA1
SCHEMBL6893629 0.84 CHEK1 (0.63) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL6893627 0.84 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1SRC
SCHEMBL6894250 0.83 CHEK1 (0.55) CHEK1CCNA2CDK2CCNA1
SCHEMBL6891716 0.83 CHEK1 (0.45) CHEK1CCNA2CDK2CCNA1
SCHEMBL7883968 0.82 CHEK1 (0.52) CHEK1CCNA2CDK2CCNA1

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 CHEK1 2755/4885CCNA2 2265/4885CDK2 457/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR CHEK1 461/4885CCNA2 2476/4885CDK2 165/4885

“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.