SCHEMBL4065327

SCHEMBL4065327

C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)c2cc(Cl)ccc2n1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 12/20 0.68
GRK6 P43250 2/20 0.62
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
SRC P12931 1/20 0.56
CCNA2 P20248 1/20 0.56
CDK2 P24941 1/20 0.56
GSK3B P49841 1/20 0.56

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
SCHEMBL4065647 0.93 GRK6 (0.72) NTRK1GRK6JAK2JAK3
SCHEMBL4068937 0.87 NTRK1 (0.72) NTRK1GRK6JAK2JAK3
SCHEMBL4158208 0.85 NTRK1 (0.77) NTRK1JAK2JAK3
SCHEMBL4070045 0.84 NTRK1 (0.75) NTRK1JAK2JAK3
SCHEMBL4160442 0.83 NTRK1 (0.68) NTRK1JAK2JAK3
SCHEMBL4165529 0.83 NTRK1 (0.77) NTRK1JAK2JAK3
SCHEMBL4075068 0.83 NTRK1 (0.74) NTRK1JAK2JAK3
SCHEMBL4160441 0.83 NTRK1 (0.82) NTRK1JAK2JAK3
SCHEMBL4072982 0.81 NTRK1 (0.75) NTRK1JAK2JAK3
SCHEMBL30482749 0.81 NTRK1 (0.76) NTRK1SRCCCNA2CDK2GSK3B

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 3552/4885JAK2 1971/4885

“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.