SCHEMBL10240080

SCHEMBL10240080

COc1ccc(-c2ccc(-c3cnn4c(N)c(C=O)c(C5CCN(C(=O)c6nccnc6O)CC5)nc34)cn2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.40
KIF5B P33176 8/20 0.40
KDR P35968 7/20 0.40
KIT P10721 4/20 0.40
LCK P06239 3/20 0.40
CSF1R P07333 3/20 0.40
LYN P07948 3/20 0.40
PDGFRB P09619 3/20 0.40
FGR P09769 3/20 0.40
SRC P12931 3/20 0.40
PDGFRA P16234 3/20 0.40
FGFR2 P21802 3/20 0.40
BLK P51451 3/20 0.40
JAK2 O60674 2/20 0.40
FGFR1 P11362 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
NTRK3 Q16288 2/20 0.40
NTRK2 Q16620 2/20 0.40
ABL1 P00519 2/20 0.40

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
SCHEMBL10234984 0.90 RET (0.40) RETKIF5BKDRKITLCK
SCHEMBL10240039 0.89 RET (0.39) RETKIF5BKDRKITLCK
SCHEMBL10240071 0.86 CHEK1 (0.42) RETKIF5BKDRABL1BCR
SCHEMBL10240069 0.86 DPP4 (0.34) RETKIF5BKDRETV6CCDC6
SCHEMBL10240091 0.81 KDR (0.36) RETKIF5BKDRKITLCK
SCHEMBL10240029 0.80 MTOR (0.35) RETKIF5BKDRKITLCK
SCHEMBL10240016 0.80 MTOR (0.42) RETKIF5BKDRETV6CCDC6
SCHEMBL10240020 0.79 MTOR (0.42) RETKIF5BKDRETV6CCDC6
SCHEMBL10234852 0.78 MTOR (0.41) RETKIF5BKDRETV6CCDC6
SCHEMBL10240077 0.78 CHEK1 (0.42) RETKIF5BKDRABL1BCR

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 2 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

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.