Sugi Predict

Sugi Predict / Compounds / SCHEMBL1951931

SCHEMBL1951931

SCHEMBL1951931

Cn1cc(-c2ccc3nnn(Cc4cccc(-c5ncc(OCCN6CCOCC6)cn5)c4)c3c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 11/20 0.51
▸ IRAK4 Q9NWZ3 3/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ TDO2 P48775 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ PRKAB2 O43741 2/20 0.40
▸ PRKAG1 P54619 2/20 0.40
▸ PRKAA2 P54646 2/20 0.40
▸ PRKAA1 Q13131 2/20 0.40
▸ PRKAG3 Q9UGI9 2/20 0.40
▸ PRKAG2 Q9UGJ0 2/20 0.40
▸ PRKAB1 Q9Y478 2/20 0.40
▸ FLT1 P17948 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL13492824 0.88 MET (0.54) METTDO2NPC1RAB9A
SCHEMBL1581624 0.86 MET (0.54) METTDO2NPC1RAB9A
SCHEMBL1951169 0.86 MET (0.57) METNPC1RAB9A
SCHEMBL1952590 0.86 MET (0.55) METIRAK4IRAK1ACVR1
SCHEMBL12547701 0.85 MET (0.50) METIRAK4IRAK1TDO2BRD4
SCHEMBL1951715 0.82 MET (0.50) METTDO2
SCHEMBL1579061 0.81 MET (0.64) MET
SCHEMBL1579474 0.81 MET (0.54) METTDO2NPC1RAB9A
SCHEMBL1300461 0.81 MET (0.49) METIRAK4IRAK1KDRPRKAB2
SCHEMBL12547692 0.81 MET (0.53) METACVR1NPC1RAB9A

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 8 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
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 11/4885IRAK4 820/4885IRAK1 980/4885

“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