SCHEMBL584891

SCHEMBL584891

Nc1c(Br)c(OC2CCNCC2)nc2c(-c3ccc(-c4ccccc4)nc3)cnn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.58
KIF5B P33176 3/20 0.58
KDR P35968 3/20 0.58
ETV6 P41212 2/20 0.58
CCDC6 Q16204 2/20 0.58
LCK P06239 2/20 0.46
CSF1R P07333 2/20 0.46
LYN P07948 2/20 0.46
PDGFRB P09619 2/20 0.46
FGR P09769 2/20 0.46
KIT P10721 2/20 0.46
SRC P12931 2/20 0.46
PDGFRA P16234 2/20 0.46
FGFR2 P21802 2/20 0.46
BLK P51451 2/20 0.46
ABL1 P00519 1/20 0.46
NPM1 P06748 1/20 0.46
BCR P11274 1/20 0.46
FLT3 P36888 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL7880633 0.89 RET (0.58) RETKIF5BKDRETV6CCDC6
SCHEMBL2679666 0.86 KDR (0.57) RETKIF5BKDRETV6CCDC6
SCHEMBL10235075 0.84 CHEK1 (0.63) RETKIF5BKDRETV6CCDC6
SCHEMBL10234347 0.84 RET (0.60) RETKIF5BKDRETV6CCDC6
SCHEMBL7875028 0.84 RET (0.53) RETKIF5BKDRETV6CCDC6
SCHEMBL2680040 0.83 RET (0.46) RETKIF5BKDRETV6CCDC6
SCHEMBL2680037 0.83 RET (0.46) RETKIF5BKDRETV6CCDC6
SCHEMBL7882706 0.82 CHEK1 (0.66) RETKIF5BKDRETV6CCDC6
SCHEMBL1022445 0.81 RET (0.49) RETKIF5BKDRETV6CCDC6
SCHEMBL15007118 0.76 CHEK1 (0.49) RETKIF5BKDRETV6CCDC6

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-8591943-B2 Pyrazolo[1,5-a]pyrimidine derivatives as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2013-11-26 US disclosed
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
EP-2417138-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS Schering Corporation (US) 2012-02-15 EP 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 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.