SCHEMBL314103

SCHEMBL314103

C[C@H]1CNc2cc(Cl)ccc2-n2c(-c3ccccn3)nnc21

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 11/20 0.43
TNKS2 Q9H2K2 3/20 0.40
TNKS O95271 2/20 0.40
OPRL1 P41146 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
P2RX7 Q99572 2/20 0.39
BRD4 O60885 1/20 0.37
OPRK1 P41145 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
SCHEMBL314102 1.00 AVPR1A (0.43) AVPR1ATNKS2TNKSOPRL1DCTPP1
SCHEMBL314101 1.00 AVPR1A (0.43) AVPR1ATNKS2TNKSOPRL1DCTPP1
SCHEMBL314200 0.87 TNKS2 (0.40) TNKS2TNKSP2RX7
SCHEMBL314199 0.87 TNKS2 (0.40) TNKS2TNKSP2RX7
SCHEMBL314198 0.87 TNKS2 (0.40) TNKS2TNKSP2RX7
SCHEMBL314365 0.86 TNKS2 (0.40) AVPR1ATNKS2TNKSP2RX7BRD4
SCHEMBL314713 0.86 TNKS2 (0.40) AVPR1ATNKS2TNKSP2RX7BRD4
SCHEMBL314133 0.86 TNKS2 (0.40) AVPR1ATNKS2TNKSP2RX7BRD4
SCHEMBL314679 0.85 HSD11B1 (0.41) AVPR1ATNKS2BRD4OPRK1
SCHEMBL314677 0.85 HSD11B1 (0.41) AVPR1ATNKS2BRD4OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US claimed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 AVPR1A 3270/4885TNKS2 630/4885TNKS 534/4885

“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.