SCHEMBL12547692

SCHEMBL12547692

Cc1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.53
▸ BMPR1A P36894 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL1952580 0.90 MET (0.53) METACHENPC1RAB9A
SCHEMBL1950388 0.87 MET (0.55) METBMPR1AACVRL1ACVR1NPC1
SCHEMBL13492824 0.86 MET (0.54) METACHESRCNPC1RAB9A
SCHEMBL1952590 0.85 MET (0.55) METBMPR1AACVRL1ACVR1
SCHEMBL19267218 0.84 MET (0.52) METACHESRCNPC1RAB9A
SCHEMBL1951169 0.84 MET (0.57) METSRCNPC1RAB9A
SCHEMBL12547398 0.82 MET (0.54) METACHESRCNPC1RAB9A
SCHEMBL1581624 0.82 MET (0.54) METSRCNPC1RAB9A
SCHEMBL1579383 0.82 MET (0.60) METNPC1RAB9A
SCHEMBL12547779 0.81 MET (0.54) METSRCNPC1RAB9A

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-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — 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-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS RET, BMX, ERBB2 MET 11/4885BMPR1A 860/4885ACVRL1 487/4885

“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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