Sugi Predict

Sugi Predict / Compounds / SCHEMBL6891742

SCHEMBL6891742

SCHEMBL6891742

Nc1c(Br)c(N2CCn3nc(C(F)(F)F)nc3C2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 4/20 0.32
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ DHFR P00374 2/20 0.32
▸ CHEK1 O14757 2/20 0.31
▸ CCNA2 P20248 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CCNA1 P78396 2/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ MYT1 Q01538 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ EGFR P00533 3/20 0.30
▸ FGFR2 P21802 3/20 0.30
▸ LCK P06239 1/20 0.30
▸ HCK P08631 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL6894829 0.85 EGFR (0.34) MTORPIK3CAPIK3CGDHFRCHEK1
SCHEMBL10234788 0.85 PTGS1 (0.35) MTORPIK3CAPIK3CGCHEK1CCNA2
SCHEMBL6893394 0.78 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1EGFR
SCHEMBL6893430 0.78 NPC1 (0.44) MTORPIK3CAPIK3CGPIK3CDMAPT
SCHEMBL2680298 0.77 EGFR (0.40) MTORPIK3CAHSP90AA1EGFRFGFR2
SCHEMBL10234123 0.77 CHEK1 (0.37) DHFRCHEK1CCNA2CDK2CCNA1
SCHEMBL6891736 0.77 PARP10 (0.38) CHEK1CCNA2CDK2CCNA1EGFR
SCHEMBL6891750 0.76 EGFR (0.36) PIK3CACHEK1CCNA2CDK2CCNA1
SCHEMBL6894405 0.76 SLC2A1 (0.34) CHEK1CCNA2CDK2CCNA1EGFR
SCHEMBL6893425 0.75 PIM1 (0.38) PIK3CACHEK1CCNA2CDK2CCNA1

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 MTOR 1824/4885PIK3CA 2681/4885PIK3CG 2457/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885PIK3CA 34/4885PIK3CG 152/4885

“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.