SCHEMBL1581624

SCHEMBL1581624

Brc1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.54
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ SRC P12931 2/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ FGFR1 P11362 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
SCHEMBL13492824 0.90 MET (0.54) METNPC1RAB9ATDO2LTA4H
SCHEMBL1951169 0.90 MET (0.57) METNPC1RAB9ALTA4HSRC
SCHEMBL1951931 0.86 MET (0.51) METNPC1RAB9ATDO2
SCHEMBL1579474 0.85 MET (0.54) METNPC1RAB9ATSHRTDO2
SCHEMBL12547877 0.84 MET (0.52) METCNR1CNR2NPC1RAB9A
SCHEMBL1951715 0.84 MET (0.50) METTDO2SRCROCK2ROCK1
SCHEMBL12547398 0.83 MET (0.54) METCNR1CNR2NPC1RAB9A
SCHEMBL1950388 0.83 MET (0.55) METNPC1RAB9ALTA4HROCK2
SCHEMBL1952580 0.82 MET (0.53) METNPC1RAB9ATSHRLTA4H
SCHEMBL12547692 0.82 MET (0.53) METNPC1RAB9ASRC

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 9 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 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-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
EP-2310013-A1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS Merck Patent GmbH (DE) 2011-04-20 — — EP disclosed
WO-2010017870-A1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2010-02-18 — — WO 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 11/4885CNR1 816/4885CNR2 1201/4885

“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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