SCHEMBL7874844

SCHEMBL7874844

CC1(NCc2nc3c(-c4cnc5ccc(F)cc5c4)cnn3c(N)c2Br)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.40
CCNA2 P20248 10/20 0.40
CDK2 P24941 10/20 0.40
CCNA1 P78396 10/20 0.40
KMT2A Q03164 8/20 0.35
RAB9A P51151 8/20 0.35
MEN1 O00255 7/20 0.35
NPC1 O15118 7/20 0.35
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
BLM P54132 1/20 0.33
NCOA1 Q15788 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 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
SCHEMBL7879298 0.93 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10235175 0.92 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1RAB9A
SCHEMBL10239214 0.90 CHEK1 (0.36) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10239137 0.89 CHEK1 (0.37) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10239271 0.88 CCNA2 (0.37) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10239216 0.85 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7883203 0.85 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10235330 0.84 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7874894 0.84 MAP4K4 (0.41) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL589188 0.84 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1KMT2A

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 3 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
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 (1 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-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.