Sugi Predict

Sugi Predict / Compounds / SCHEMBL6894955

SCHEMBL6894955

SCHEMBL6894955

Nc1c(Br)c(N2CCCS(=O)(=O)CC2)nc2c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 4/20 0.34
▸ FGFR2 P21802 3/20 0.34
▸ CHEK1 O14757 4/20 0.34
▸ CCNA2 P20248 4/20 0.34
▸ CDK2 P24941 4/20 0.34
▸ CCNA1 P78396 4/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ SENP8 Q96LD8 2/20 0.33
▸ SENP7 Q9BQF6 2/20 0.33
▸ SENP6 Q9GZR1 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL6891750 0.96 EGFR (0.36) EGFRFGFR2CHEK1CCNA2CDK2
SCHEMBL10234368 0.86 CHEK1 (0.38) EGFRCHEK1CCNA2CDK2CCNA1
SCHEMBL10234371 0.86 KMT2A (0.36) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL7882617 0.86 KMT2A (0.36) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL10234358 0.85 CHEK1 (0.35) EGFRCHEK1CCNA2CDK2CCNA1
SCHEMBL10234375 0.84 CDK2 (0.38) CHEK1CCNA2CDK2CCNA1NPC1
SCHEMBL6894323 0.84 NPC1 (0.41) NPC1KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL6893430 0.83 NPC1 (0.44) NPC1KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL6893394 0.83 CHEK1 (0.37) EGFRFGFR2CHEK1CCNA2CDK2
SCHEMBL6891730 0.83 AKT1 (0.35) EGFRFGFR2CHEK1CCNA2CDK2

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 4 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

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 EGFR 4536/4885FGFR2 3710/4885CHEK1 2755/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR EGFR 2799/4885FGFR2 1827/4885CHEK1 461/4885

“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.