SCHEMBL13527593

SCHEMBL13527593

CO[C@H](c1ccc(-c2cn[nH]c2)cc1)[C@@H](CF)N=[N+]=[N-]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 2/20 0.43
▸ MYLK4 Q86YV6 2/20 0.43
▸ AKT2 P31751 6/20 0.40
▸ AKT1 P31749 8/20 0.38
▸ ROCK2 O75116 5/20 0.38
▸ PRKD3 O94806 1/20 0.37
▸ PRKCG P05129 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ PRKCA P17252 1/20 0.37
▸ PRKCH P24723 1/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ PRKCE Q02156 1/20 0.37
▸ PRKCQ Q04759 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ PRKCD Q05655 1/20 0.37
▸ PRKD1 Q15139 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
SCHEMBL20026100 1.00 ROCK1 (0.43) ROCK1MYLK4AKT2AKT1ROCK2
SCHEMBL13527565 0.84 AKR1C3 (0.30) —
SCHEMBL14022482 0.83 FTO (0.35) —
SCHEMBL14083210 0.83 CYP17A1 (0.39) AKT1
SCHEMBL13527562 0.81 MAOB (0.32) —
SCHEMBL20026322 0.81 MAOB (0.32) —
SCHEMBL13527570 0.81 LMNA (0.31) —
SCHEMBL20026167 0.80 — —
SCHEMBL14023294 0.80 — —
SCHEMBL14082446 0.80 AKR1C3 (0.34) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-04-05 — — US disclosed
EP-1934238-B1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2017-06-28 — — EP disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 — — US disclosed
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2016-02-04 — — US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 — — US disclosed
US-9006189-B2 Triazole compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-04-14 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-27 — — US disclosed
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same BioVersys AG (CH) 2013-03-14 — — US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-8278281-B2 Triazole compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
US-20100016956-A1 Triazole compounds and methods of making and using the same BioVersys AG (CH) 2010-01-21 — — US disclosed
WO-2007025284-A1 TRIAZOLE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2007-03-01 — — 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 (5 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-20100016956-A1 Triazole compounds and methods of making and using the same IL33, PROKR1, PGC ROCK1 1287/4885MYLK4 2506/4885AKT2 3490/4885
US-20180094016-A1 Triazole Compounds And Methods Of Making And Using The Same IL33, PROKR1, VIP ROCK1 1305/4885MYLK4 2679/4885AKT2 3692/4885
US-20130065845-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ROCK1 1305/4885MYLK4 2679/4885AKT2 3692/4885
US-20160031926-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ROCK1 1305/4885MYLK4 2679/4885AKT2 3692/4885
US-20140088031-A1 Triazole Compounds and Methods of Making and Using the Same IL33, PROKR1, VIP ROCK1 1305/4885MYLK4 2679/4885AKT2 3692/4885

“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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