Sugi Predict

Sugi Predict / Compounds / SCHEMBL6891856

SCHEMBL6891856

SCHEMBL6891856

Nc1c(Br)c(N2CC3(C2)NC(=O)NC3=O)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ CRBN Q96SW2 2/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ TDP2 O95551 1/20 0.34
▸ CHEK1 O14757 5/20 0.33
▸ CCNA2 P20248 5/20 0.33
▸ CDK2 P24941 5/20 0.33
▸ CCNA1 P78396 5/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ EGFR P00533 3/20 0.32
▸ FGFR2 P21802 3/20 0.32
▸ NR2F2 P24468 1/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ BIRC5 O15392 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL6894950 0.94 CRBN (0.42) BRD4CREBBPCRBNDDB1PIK3CA
SCHEMBL6893490 0.84 CRBN (0.42) BRD4CREBBPCRBNDDB1PIK3CA
SCHEMBL7874628 0.83 KDM4E (0.37) BRD4CREBBPCRBNDDB1TDP2
SCHEMBL6894944 0.82 CDK8 (0.42) BRD4CREBBPCRBNDDB1PIK3CA
SCHEMBL6893682 0.82 CHEK1 (0.37) BRD4CREBBPCRBNDDB1CHEK1
SCHEMBL6894858 0.80 CDK8 (0.43) —
SCHEMBL6891736 0.79 PARP10 (0.38) BRD4CREBBPTDP2CHEK1CCNA2
SCHEMBL6894488 0.79 CRBN (0.44) BRD4CREBBPCRBNDDB1PIK3CA
SCHEMBL6891750 0.79 EGFR (0.36) CHEK1CCNA2CDK2CCNA1PIK3CA
SCHEMBL2679803 0.79 PARP10 (0.39) BRD4CREBBPTDP2CHEK1CCNA2

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 BRD4 1555/4885CREBBP 1744/4885CRBN 1562/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR BRD4 1117/4885CREBBP 612/4885CRBN 2219/4885

“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.