SCHEMBL12547624

SCHEMBL12547624

CN1CCC(Oc2cnc(-c3cccc(CO)c3)nc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 1/20 0.44
▸ MET P08581 2/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ FFAR1 O14842 2/20 0.41
▸ CHRM3 P20309 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ SLC5A7 Q9GZV3 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
SCHEMBL12547481 0.88 MAP4K1 (0.44) MAP4K1METNQO2FFAR1NEK2
SCHEMBL1296276 0.85 MET (0.57) MAP4K1METNQO2CHRM3
SCHEMBL12547054 0.82 HPGDS (0.48) —
SCHEMBL1581330 0.77 MET (0.59) METNQO2
SCHEMBL1581704 0.77 JAK2 (0.48) MAP4K1METACVR1
SCHEMBL14641623 0.76 MET (0.42) METNQO2ACVR1
SCHEMBL22310395 0.76 FYN (0.51) METDYRK1AS1PR1
SCHEMBL3092459 0.75 MET (0.63) METNQO2
SCHEMBL3088753 0.75 MET (0.67) METNQO2
SCHEMBL3091030 0.75 MET (0.62) METNQO2

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
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 MAP4K1 733/4885MET 11/4885NQO2 2664/4885

“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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