SCHEMBL15940957

SCHEMBL15940957

CC(C)(C)c1cc(C(=O)C(C#N)=NNc2cccc(C(F)(F)F)c2)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAPGEF3 O95398 7/20 0.81
ALB P02768 1/20 0.75
RAPGEF4 Q8WZA2 1/20 0.75

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
SCHEMBL15188836 1.00 RAPGEF3 (0.81) RAPGEF3ALBRAPGEF4
SCHEMBL15188849 0.90 RAPGEF3 (1.00) RAPGEF3
SCHEMBL15941311 0.90 RAPGEF3 (1.00) RAPGEF3
SCHEMBL15176035 0.87 RAPGEF3 (0.79) RAPGEF3ALBRAPGEF4
SCHEMBL15176034 0.87 RAPGEF3 (0.79) RAPGEF3ALBRAPGEF4
SCHEMBL15175066 0.86 RAPGEF3 (0.78) RAPGEF3ALBRAPGEF4
SCHEMBL15175065 0.86 RAPGEF3 (0.78) RAPGEF3ALBRAPGEF4
SCHEMBL16664631 0.86 RAPGEF3 (0.88) RAPGEF3
SCHEMBL15188827 0.86 RAPGEF3 (1.00) RAPGEF3ALBRAPGEF4
SCHEMBL15188820 0.86 RAPGEF3 (0.78) RAPGEF3ALBRAPGEF4

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
EP-2811990-B1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV TEXAS (US) 2017-10-25 EP claimed
US-9737512-B2 Methods and compositions for treating chronic pain THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-08-22 US claimed
US-9539256-B2 Modulators of exchange proteins directly activated by cAMP (EPACS) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-10 US claimed
US-20160263088-A1 Methods and Compositions for Treating Chronic Pain THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-15 US claimed
US-20150110809-A1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-23 US claimed
US-20140348853-A1 METHODS OF TREATING RICKETTSIA USING EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-27 US claimed
WO-2014123680-A1 ANTIMICROBIAL METHODS USING INHIBITORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPAC) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 WO claimed
EP-2811990-B1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) UNIV TEXAS (US) 2017-10-25 EP disclosed
US-9737512-B2 Methods and compositions for treating chronic pain THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-08-22 US disclosed
US-9539256-B2 Modulators of exchange proteins directly activated by cAMP (EPACS) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-10 US disclosed
US-20160263088-A1 Methods and Compositions for Treating Chronic Pain THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-09-15 US disclosed
US-20150110809-A1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-04-23 US disclosed
US-20140348853-A1 METHODS OF TREATING RICKETTSIA USING EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) INHIBITORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-11-27 US disclosed
WO-2014123680-A1 ANTIMICROBIAL METHODS USING INHIBITORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPAC) THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-08-14 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 (3 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-20150110809-A1 MODULATORS OF EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) RAPGEF3, RAPGEF4, CREB1 RAPGEF3 1/4885ALB 4728/4885RAPGEF4 2/4885
US-20140348853-A1 METHODS OF TREATING RICKETTSIA USING EXCHANGE PROTEINS DIRECTLY ACTIVATED BY CAMP (EPACS) INHIBITORS RAPGEF3, RAPGEF4, CREB1 RAPGEF3 1/4885ALB 4218/4885RAPGEF4 2/4885
US-20160263088-A1 Methods and Compositions for Treating Chronic Pain PLA2G4C, GAP43, PTGER2 RAPGEF3 25/4885ALB 2476/4885RAPGEF4 191/4885

“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.