SCHEMBL18965882

SCHEMBL18965882

CCC(Nc1nc2ccc(Nc3cc(C4CC4)[nH]n3)cc2n1C)c1ccc(Oc2ncc(Cl)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.43
NTRK1 P04629 7/20 0.39
PIK3C3 Q8NEB9 1/20 0.38
PAK3 O75914 1/20 0.37
PAK1 Q13153 1/20 0.37
PAK2 Q13177 1/20 0.37

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
SCHEMBL17487848 0.89 EGFR (0.37) NTRK1PIK3C3
SCHEMBL17488065 0.87 MCHR1 (0.35) IGF1R
SCHEMBL17488328 0.87 MCHR1 (0.35)
SCHEMBL17488324 0.85 IGF1R (0.44) IGF1RNTRK1PIK3C3PAK3PAK1
SCHEMBL18965789 0.80 ATP1A1 (0.35)
SCHEMBL17488326 0.79 MCHR1 (0.43) NTRK1PIK3C3PAK3
SCHEMBL17488048 0.79 MCHR1 (0.38)
SCHEMBL18965825 0.78 JAK2 (0.35) NTRK1PIK3C3
SCHEMBL18960462 0.78 ATP1A1 (0.40)
SCHEMBL17488243 0.74 PLK4 (0.42) IGF1RNTRK1PIK3C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2017-06-15 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-20170166563-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS ALOX5, ALOX15, ALOX12 IGF1R 1291/4885NTRK1 1236/4885PIK3C3 4729/4885

“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.