SCHEMBL1150378

SCHEMBL1150378

COc1cc2c(cn1)C(Br)(Br)C(=O)N2C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.38
▸ CTSE P14091 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ MARK3 P27448 3/20 0.36
▸ MARK4 Q96L34 2/20 0.36
▸ SCN9A Q15858 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
SCHEMBL1150359 0.73 OPRL1 (0.43) BACE1CTSECYP3A4CYP2C19
SCHEMBL1149527 0.70 MARK3 (0.37) CYP3A4CYP2C19MARK3SCN9A
SCHEMBL12433042 0.69 CRHR1 (0.55) BACE1SCN9A
SCHEMBL1149632 0.65 ALDH1A1 (0.48) MARK3MARK4
SCHEMBL3720300 0.63 FFAR4 (0.32) —
SCHEMBL15579012 0.61 MARK3 (0.41) BACE1MARK3MARK4
SCHEMBL15578995 0.61 MARK3 (0.41) MARK3MARK4
SCHEMBL1149572 0.60 KDR (0.48) —
SCHEMBL31074695 0.59 CDK2 (0.42) MARK3MARK4
SCHEMBL2482302 0.58 FFAR4 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580813-B2 Cyclic azaindole-3-carboxamides, their preparation and their use as pharmaceuticals SANOFI (FR) 2013-11-12 — — US disclosed
EP-2240482-B1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2013-07-17 — — EP disclosed
US-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2011-02-17 — — 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-20110039861-A1 CYCLIC AZAINDOLE-3-CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS REN, PM20D2, CDK20 BACE1 2632/4885CTSE 469/4885CYP3A4 138/4885

“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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