SCHEMBL3341895

SCHEMBL3341895

Clc1nc(Nc2cc(C3CC3)n[nH]2)c2cccnc2n1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 6/20 0.38
▸ GRM4 Q14833 11/20 0.35
▸ CYP1A2 P05177 2/20 0.35

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
SCHEMBL2207310 0.82 APP (0.46) —
SCHEMBL4528939 0.81 ABCG2 (0.40) ABCG2GRM4
SCHEMBL3547401 0.78 PDE5A (0.46) —
SCHEMBL1164979 0.76 PAK4 (0.46) —
SCHEMBL3340680 0.75 NTRK1 (0.42) CYP1A2
SCHEMBL3339748 0.75 NTRK1 (0.43) —
SCHEMBL4068340 0.75 — —
SCHEMBL3767642 0.74 PAK4 (0.36) —
SCHEMBL3852710 0.74 IGF1R (0.41) —
SCHEMBL30227668 0.72 PLK4 (0.62) —

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-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 — — US disclosed
CN-1905884-A Pyrazole derivatives as inhibitors of receptor tyrosyne kinases ASTRAZENECA AB (SE) 2007-01-31 — — CN 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 (2 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 ABCG2 1310/4885GRM4 1517/4885CYP1A2 1559/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK ABCG2 1660/4885GRM4 1899/4885CYP1A2 1864/4885

“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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