Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893429

SCHEMBL6893429

SCHEMBL6893429

CS(=O)(=O)N1CCCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c(N)c2Br)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.40
▸ KIF5B P33176 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ETV6 P41212 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ CCDC6 Q16204 1/20 0.40
▸ LCK P06239 1/20 0.38
▸ HCK P08631 1/20 0.38
▸ MTOR P42345 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ MET P08581 1/20 0.35
▸ NPY5R Q15761 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34

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
SCHEMBL10234123 0.83 CHEK1 (0.37) RETKIF5BKDRETV6KCNH2
SCHEMBL2680298 0.83 EGFR (0.40) KDRLCKHCKMTORALDH1A1
SCHEMBL6891839 0.82 CHEK1 (0.43) RETKIF5BKDRETV6KCNH2
SCHEMBL6894955 0.82 EGFR (0.34) KDRHCKMTORALDH1A1LMNA
SCHEMBL6894323 0.82 NPC1 (0.41) MTORALDH1A1MAPK1NPC1RAB9A
SCHEMBL6891750 0.82 EGFR (0.36) LCKHCKCHEK1CCNA2CDK2
SCHEMBL6894469 0.81 CHEK1 (0.47) RETKIF5BKDRETV6KCNH2
SCHEMBL6893394 0.81 CHEK1 (0.37) ALDH1A1MAPK1CHEK1CCNA2CDK2
SCHEMBL6893430 0.81 NPC1 (0.44) MTORALDH1A1MAPK1NPC1RAB9A
SCHEMBL6893379 0.81 IRAK1 (0.40) KDRLCKHCKMTORNPY5R

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 RET 4209/4885KIF5B 2858/4885KDR 4591/4885
US-20120114739-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS MTOR, RICTOR, RPTOR RET 1394/4885KIF5B 4184/4885KDR 3315/4885

“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.