SCHEMBL1950388

SCHEMBL1950388

c1cc(Cn2nnc3cccnc32)cc(-c2ncc(OCCN3CCOCC3)cn2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.55
▸ BMPR1A P36894 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ PIK3CA P42336 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ LTA4H P09960 3/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ TGFBR1 P36897 1/20 0.38

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
SCHEMBL1951169 0.88 MET (0.57) METNPC1RAB9ALTA4H
SCHEMBL1952580 0.87 MET (0.53) METNPC1RAB9AROCK2ROCK1
SCHEMBL12547692 0.87 MET (0.53) METBMPR1AACVRL1ACVR1NPC1
SCHEMBL12547779 0.85 MET (0.54) METNPC1RAB9AROCK2ROCK1
SCHEMBL1952590 0.83 MET (0.55) METBMPR1AACVRL1ACVR1
SCHEMBL1579474 0.83 MET (0.54) METNPC1RAB9ALTA4H
SCHEMBL12547398 0.83 MET (0.54) METNPC1RAB9AROCK2ROCK1
SCHEMBL1581624 0.83 MET (0.54) METNPC1RAB9AROCK2ROCK1
SCHEMBL13492824 0.83 MET (0.54) METNPC1RAB9ALTA4H
SCHEMBL1579383 0.82 MET (0.60) METNPC1RAB9AROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 — — EP claimed
US-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US claimed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 — — US claimed
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 — — EP disclosed
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 — — EP disclosed
US-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US disclosed
US-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 — — US disclosed
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
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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