SCHEMBL3973338

SCHEMBL3973338

Cc1cc(C)c(NC2CCNC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
ATAD2 Q6PL18 4/20 0.44
RAPGEF4 Q8WZA2 2/20 0.43
KCNH2 Q12809 1/20 0.40
HRH4 Q9H3N8 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
HRH2 P25021 1/20 0.40
BPTF Q12830 2/20 0.38
CHEK2 O96017 1/20 0.38
PRKCI P41743 2/20 0.37
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
EHMT2 Q96KQ7 2/20 0.36

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
SCHEMBL3976452 0.90 EHMT2 (0.45) BRD4RAPGEF4EHMT2
SCHEMBL1842397 0.89 RAPGEF4 (0.46) BRD4ATAD2RAPGEF4EHMT2
SCHEMBL14577966 0.86 BRD4 (0.42) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL21460303 0.80 KCNH2 (0.43) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL20135621 0.76 BRD4 (0.50) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL20134805 0.76 BRD4 (0.50) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL20134803 0.76 BRD4 (0.50) BRD4ATAD2KCNH2HRH4HRH3
Hydrochloric Acid SCHEMBL29688363 0.74 BRD4 (0.49) BRD4ATAD2KCNH2HRH4HRH3
SCHEMBL2535679 0.73 HRH4 (0.45) BRD4ATAD2HRH4HRH3HRH2
SCHEMBL20353196 0.73 TAS1R3 (0.51) RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS, INC. 2007-12-20 US disclosed
US-7288538-B2 Cardiovascular homeostasis through combination of direct neuronal control and systemic neurohormonal activation ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-03 US 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 (2 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-20050049286-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 BRD4 1957/4885ATAD2 693/4885RAPGEF4 3949/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 BRD4 1957/4885ATAD2 693/4885RAPGEF4 3949/4885

“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.