SCHEMBL4737845

SCHEMBL4737845

OC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)ncc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 16/20 0.71
IGF1R P08069 4/20 0.55

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
SCHEMBL27738466 1.00 NTRK1 (0.71) NTRK1IGF1R
SCHEMBL4640146 0.88 NTRK1 (0.73) NTRK1IGF1R
SCHEMBL4891282 0.88 NTRK1 (0.88) NTRK1IGF1R
SCHEMBL23216996 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL3342109 0.85 NTRK1 (0.83) NTRK1IGF1R
SCHEMBL3126553 0.84 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL4299264 0.84 NTRK1 (0.68) NTRK1IGF1R
SCHEMBL22535735 0.84 NTRK1 (0.72) NTRK1IGF1R
SCHEMBL4147228 0.83 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL4151364 0.83 NTRK1 (0.83) NTRK1IGF1R

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 4 patents. 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
EP-1888561-A1 PYRAZOLYL-AMINO- SUBSTITUTED PYRIMIDINES AND THEIR USE IN THE TREATMENT OF CANCER AstraZeneca AB (SE) 2008-02-20 EP claimed
WO-2006117560-A1 PYRAZOLYL-AMINO- SUBSTITUTED PYRIMIDINES AND THEIR USE IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2006-11-09 WO claimed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 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 (2 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 NTRK1 4690/4885IGF1R 1826/4885
US-20080194606-A1 Pyrazolyl-Amino-Substituted Pyrimidines and Their Use in the Treatment of Cancer TYMS, TYMP, DPYD NTRK1 4196/4885IGF1R 2689/4885

“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.