SCHEMBL4070063

SCHEMBL4070063

C[C@H](Nc1ncc(Br)c(Nc2cc(C(C)(C)C)[nH]n2)n1)c1ccc(F)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.79
IGF1R P08069 6/20 0.61
JAK2 O60674 1/20 0.58
JAK3 P52333 1/20 0.58
GRK6 P43250 6/20 0.51
AURKA O14965 2/20 0.50

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
SCHEMBL4068765 0.87 NTRK1 (0.78) NTRK1IGF1RJAK2JAK3GRK6
SCHEMBL4144686 0.83 NTRK1 (1.00) NTRK1IGF1R
SCHEMBL22535254 0.83 NTRK1 (0.70) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL4068047 0.80 NTRK1 (0.85) NTRK1IGF1RJAK2JAK3GRK6
SCHEMBL22535761 0.78 NTRK1 (0.63) NTRK1GRK6AURKA
SCHEMBL11347412 0.76 IGF1R (1.00) IGF1R
SCHEMBL3338860 0.75 NTRK1 (0.71) NTRK1IGF1RJAK2JAK3
SCHEMBL29794681 0.75 NTRK1 (0.71) NTRK1IGF1RJAK2JAK3
SCHEMBL4076083 0.75 NTRK1 (1.00) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL22535250 0.74 NTRK1 (0.59) NTRK1JAK2JAK3GRK6AURKA

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 3656/4885IGF1R 4775/4885JAK2 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.