SCHEMBL4070713

SCHEMBL4070713

COc1ccc2nc(N[C@@H](CO)c3ccc(F)cc3)nc(Nc3cc(C4CC4)[nH]n3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 17/20 0.63
GRK6 P43250 1/20 0.60
PAK4 O96013 1/20 0.51

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
SCHEMBL29794656 0.85 NTRK1 (0.70) NTRK1GRK6
SCHEMBL23217099 0.85 NTRK1 (0.70) NTRK1GRK6
SCHEMBL3338355 0.85 NTRK1 (0.70) NTRK1GRK6
SCHEMBL4076751 0.84 NTRK1 (0.66) NTRK1
SCHEMBL4069819 0.83 NTRK1 (0.63) NTRK1
SCHEMBL4073828 0.83 NTRK1 (0.63) NTRK1
SCHEMBL57227 0.81 NTRK1 (0.69) NTRK1
SCHEMBL4069073 0.81 NTRK1 (0.72) NTRK1PAK4
SCHEMBL57226 0.81 NTRK1 (0.69) NTRK1
SCHEMBL4149345 0.81 NTRK1 (0.66) NTRK1PAK4

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
EP-1686999-B1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2009-07-01 EP disclosed
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain ASTRAZENECA AB (SE) 2009-01-01 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-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885GRK6 3552/4885PAK4 1337/4885

“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.