SCHEMBL3338554

SCHEMBL3338554

CCOc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)nc(Cl)c2Cl)n[nH]1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 11/20 0.55
GRK6 P43250 9/20 0.55
AURKA O14965 2/20 0.53

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
SCHEMBL4158208 0.80 NTRK1 (0.77) NTRK1
SCHEMBL23217129 0.78 NTRK1 (0.74) NTRK1GRK6AURKA
SCHEMBL3340111 0.78 NTRK1 (0.74) NTRK1GRK6AURKA
SCHEMBL30009963 0.78 NTRK1 (0.74) NTRK1GRK6AURKA
SCHEMBL589659 0.78 NTRK1 (0.56) NTRK1GRK6AURKA
SCHEMBL218403 0.78 JAK2 (0.59) NTRK1GRK6AURKA
SCHEMBL23808896 0.76 NTRK1 (0.75) NTRK1GRK6AURKA
SCHEMBL4072828 0.76 PLK4 (0.40)
SCHEMBL4077921 0.76 NTRK1 (0.77) NTRK1GRK6AURKA
SCHEMBL4064443 0.76 NTRK1 (0.68) NTRK1GRK6AURKA

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
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
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (3 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885GRK6 77/4885AURKA 260/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK NTRK1 15/4885GRK6 69/4885AURKA 266/4885
US-20090005396-A1 Use of Pyrazolyl-Pyrimidine Derivatives in the Treatment of Pain P2RX3, DPYD, TYMP NTRK1 3656/4885GRK6 3552/4885AURKA 2423/4885

“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.