Sugi Predict

Sugi Predict / Compounds / SCHEMBL6891822

SCHEMBL6891822

SCHEMBL6891822

Nc1c(Br)c(N2Cc3cn[nH]c3C2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 8/20 0.35
▸ CCNA2 P20248 8/20 0.35
▸ CDK2 P24941 8/20 0.35
▸ CCNA1 P78396 8/20 0.35
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ BIRC5 O15392 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ ATR Q13535 2/20 0.32
▸ ATRIP Q8WXE1 2/20 0.32
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL6893448 0.92 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6891834 0.84 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6893615 0.82 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL7883671 0.82 MAPK14 (0.34) PDGFRBPDGFRAMEN1NPC1KMT2A
SCHEMBL6894319 0.82 MEN1 (0.37) CHEK1CCNA2CDK2CCNA1MEN1
SCHEMBL6893430 0.80 NPC1 (0.44) MEN1NPC1KMT2ARAB9AATR
SCHEMBL6893394 0.80 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6891736 0.79 PARP10 (0.38) CHEK1CCNA2CDK2CCNA1BIRC5
SCHEMBL6894307 0.79 CHEK1 (0.34) CHEK1CCNA2CDK2CCNA1PDGFRB
SCHEMBL6891750 0.78 EGFR (0.36) CHEK1CCNA2CDK2CCNA1MEN1

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.