SCHEMBL1952580

SCHEMBL1952580

Clc1ccc2nnn(Cc3cccc(-c4ncc(OCCN5CCOCC5)cn4)c3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 8/20 0.53
▸ ACHE P22303 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 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
SCHEMBL12547692 0.90 MET (0.53) METACHENPC1RAB9A
SCHEMBL1950388 0.87 MET (0.55) METNPC1RAB9ALTA4HROCK2
SCHEMBL1579474 0.84 MET (0.54) METACHEKDM4ETP53TSHR
SCHEMBL1952590 0.84 MET (0.55) MET
SCHEMBL1951169 0.84 MET (0.57) METNPC1RAB9AMEN1KMT2A
SCHEMBL1581624 0.82 MET (0.54) METTSHRNPC1RAB9ALTA4H
SCHEMBL12547398 0.82 MET (0.54) METACHEKDM4ETP53TSHR
SCHEMBL13492824 0.82 MET (0.54) METACHEALDH1A1NPC1RAB9A
SCHEMBL1579383 0.82 MET (0.60) METNPC1RAB9ALTA4HROCK2
SCHEMBL12547779 0.81 MET (0.54) METKDM4ETP53TSHRNPC1

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
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

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 11/4885ACHE 3511/4885KDM4E 1349/4885

“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.

Send feedback