SCHEMBL4889103

SCHEMBL4889103

CC(Nc1nc(N)nc(-c2cc(C3CC3)n[nH]2)c1C(F)(F)F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.39
NTRK1 P04629 3/20 0.39
MAPK13 O15264 7/20 0.38
MAPK12 P53778 7/20 0.38
MAPK11 Q15759 7/20 0.38
MAPK14 Q16539 7/20 0.38
EGFR P00533 2/20 0.38
KDR P35968 2/20 0.38
CCNE2 O96020 3/20 0.38
CCNE1 P24864 3/20 0.38
CDK2 P24941 3/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
NUDT1 P36639 1/20 0.37
MAPK9 P45984 4/20 0.36
RAF1 P04049 2/20 0.36
IDH1 O75874 2/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL4075051 0.85 MAPK13 (0.41) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL4470547 0.76 CDC7 (0.33)
SCHEMBL4067495 0.75 IGF1R (0.43) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL4077928 0.71 NTRK1 (0.49) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL4165509 0.70 NTRK1 (0.47) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL4072134 0.68 NTRK1 (0.48) NTRK1
SCHEMBL4071743 0.67 NTRK1 (0.47) NTRK1
SCHEMBL30010241 0.67 NTRK1 (0.52) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL2209333 0.67 IGF1R (0.38) IGF1RNTRK1MAPK13MAPK12MAPK11
SCHEMBL2207551 0.67 IGF1R (0.38) IGF1RNTRK1MAPK13MAPK12MAPK11

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-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer ASTRAZENECA (SE) 2008-08-14 US claimed

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-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer TYMS, TYMP, DPYD IGF1R 2689/4885NTRK1 4196/4885MAPK13 1905/4885

“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.