SCHEMBL7874701

SCHEMBL7874701

COCCCNCc1nc2c(-c3cnc4ccccc4c3)cnn2c(N)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.39
CCNA2 P20248 6/20 0.39
CDK2 P24941 6/20 0.39
CCNA1 P78396 6/20 0.39
KMT2A Q03164 7/20 0.36
NPC1 O15118 6/20 0.36
MEN1 O00255 6/20 0.36
MAPT P10636 6/20 0.36
RAB9A P51151 5/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
TP53 P04637 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
RET P07949 2/20 0.36

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
SCHEMBL10235313 0.95 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7879289 0.89 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10235008 0.87 CHEK1 (0.39) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7880988 0.87 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10235009 0.85 CHEK1 (0.40) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7874482 0.79 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7879112 0.78 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL7886242 0.78 NPC1 (0.37) KMT2ANPC1MEN1MAPTRAB9A
SCHEMBL7883682 0.77 CHEK1 (0.41) CHEK1CCNA2CDK2CCNA1KMT2A
SCHEMBL10234641 0.76 SMO (0.41) CHEK1CCNA2CDK2CCNA1MAPT

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.