SCHEMBL10235271

SCHEMBL10235271

Cc1ccc2ncc(-c3cnn4c(N)c(Br)c(C(C)NC(=O)C(O)CO)nc34)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.37
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
DYRK3 O43781 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
NTRK1 P04629 1/20 0.34
FYN P06241 1/20 0.34
CDK1 P06493 1/20 0.34
FES P07332 1/20 0.34
CSF1R P07333 1/20 0.34
LYN P07948 1/20 0.34
RET P07949 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FER P16591 1/20 0.34
FLT1 P17948 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
SCHEMBL10235302 1.00 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235280 0.93 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235288 0.93 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL7880930 0.92 RAB9A (0.36) KDRKDM4ENPC1ALDH1A1HPGD
SCHEMBL10239372 0.92 RAB9A (0.36) KDRKDM4ENPC1ALDH1A1HPGD
SCHEMBL10235269 0.92 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235287 0.92 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235282 0.90 KDR (0.39) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235293 0.88 KDR (0.37) KDRPLK4AURKADYRK3ROCK2
SCHEMBL10235284 0.87 KDR (0.36) KDRPLK4AURKADYRK3ROCK2

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 1 patent. 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

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 KDR 3315/4885PLK4 1275/4885AURKA 1513/4885

“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.