SCHEMBL641958

SCHEMBL641958

Cc1cccc(NC(=O)NC2N=C(c3ccccc3)c3ccccc3NC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 1.00
KCNH2 Q12809 1/20 0.66
CCKAR P32238 4/20 0.60
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL642143 0.92 CCKBR (0.85) CCKBRCCKAR
SCHEMBL8681438 0.90 CCKBR (0.82) CCKBRKCNH2CCKARCYP3A4MAPT
SCHEMBL9468540 0.90 CCKBR (0.82) CCKBRKCNH2CCKARCYP3A4MAPT
SCHEMBL8611432 0.90 CCKBR (0.82) CCKBRKCNH2CCKARCYP3A4MAPT
SCHEMBL643226 0.89 CCKBR (0.81) CCKBRCCKAR
SCHEMBL643406 0.88 CCKBR (0.79) CCKBRCCKAR
SCHEMBL643976 0.88 CCKBR (0.80) CCKBRCCKAR
SCHEMBL7550802 0.88 CCKBR (0.78) CCKBRKCNH2MAPT
SCHEMBL7550799 0.88 CCKBR (0.78) CCKBRKCNH2MAPT
SCHEMBL643077 0.87 CCKBR (0.78) CCKBRCCKAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US claimed
EP-1727550-B1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LTD (GB) 2009-07-29 EP claimed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US claimed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 US claimed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP claimed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO claimed
US-8853204-B2 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the RSV fusion protein ARROW THERAPEUTICS LIMITED (GB) 2014-10-07 US disclosed
US-8119630-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2012-02-21 US disclosed
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them ARROW THERAPEUTICS LIMITED (GB) 2010-01-21 US disclosed
US-7582624-B2 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2009-09-01 US disclosed
US-20070293482-A1 Process for Preparing Benzodiazepines NOVARTIS PHARMACEUTICALS CORPORATION (US) 2007-12-20 US disclosed
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein NOVARTIS PHARMACEUTICALA CORPORATION (US) 2007-06-21 US disclosed
EP-1727550-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBITOR OF THE RSV FUSION PROTEIN Arrow Therapeutics Limited (GB) 2006-12-06 EP disclosed
US-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them ARROW THERAPEUTICS LIMITED (GB) 2006-02-23 US disclosed
WO-2005090319-A1 PROCESS FOR PREPARING BENZODIAZEPINES ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 WO disclosed
WO-2005089769-A1 PHARMACEUTICAL COMPOSITION COMPRISING A BENZODIAZEPINE DERIVATIVE AND AN INHIBIT OR OF THE RSV FUSION PROTEIN ARROW THERAPEUTICS LIMITED (GB) 2005-09-29 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 (4 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-20060040923-A1 Benzodiazepine derivatives and pharmaceutical compositions containing them GABRA6, CNR1, SIGMAR1 CCKBR 195/4885KCNH2 314/4885CCKAR 137/4885
US-20070293482-A1 Process for Preparing Benzodiazepines CNR1, SIGMAR1, GABRA3 CCKBR 246/4885KCNH2 375/4885CCKAR 114/4885
US-20100015063-A1 Benzodiazepine Derivatives and Pharmaceutical Compositions Containing Them GABRA6, CNR1, SIGMAR1 CCKBR 197/4885KCNH2 340/4885CCKAR 137/4885
US-20070142403-A1 Pharmaceutical composition comprising a benzodiazepine derivative and an inhibitor of the rsv fusion protein GABRP, TSPO, GABRA1 CCKBR 2243/4885KCNH2 3917/4885CCKAR 2354/4885

“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.