SCHEMBL3340680

SCHEMBL3340680

Fc1ccc2c(Nc3cc(C4CC4)n[nH]3)nc(Cl)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 11/20 0.42
▸ NTRK3 Q16288 3/20 0.38
▸ NTRK2 Q16620 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ AURKA O14965 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ GABBR2 O75899 1/20 0.35
▸ GABBR1 Q9UBS5 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.34
▸ GRK6 P43250 1/20 0.33
▸ FGFR2 P21802 1/20 0.33

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
SCHEMBL3339748 0.91 NTRK1 (0.43) NTRK1NTRK3NTRK2GABBR2GABBR1
SCHEMBL2207310 0.85 APP (0.46) NTRK1NTRK3NTRK2
SCHEMBL1164979 0.82 PAK4 (0.46) NTRK1
SCHEMBL3547401 0.81 PDE5A (0.46) —
SCHEMBL3767642 0.80 PAK4 (0.36) NTRK1GABBR2GABBR1
SCHEMBL4517729 0.76 PAK1 (0.44) NTRK2CYP1A2CYP2C9CYP2C19AURKB
SCHEMBL4068340 0.76 — —
SCHEMBL3341895 0.75 ABCG2 (0.38) CYP1A2
SCHEMBL3755800 0.75 DRD2 (0.31) —
SCHEMBL588427 0.75 KMT2A (0.47) NTRK1

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
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

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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 NTRK1 7/4885NTRK3 12/4885NTRK2 97/4885

“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.

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