SCHEMBL3976452

SCHEMBL3976452

Cc1cc(C)c(NC2CCCNC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 7/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ IL1B P01584 3/20 0.41
▸ CHEK1 O14757 2/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.40
▸ PRKCZ Q05513 3/20 0.39
▸ PRKD2 Q9BZL6 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL3973338 0.90 BRD4 (0.44) EHMT2BRD4RAPGEF4
SCHEMBL1842397 0.79 RAPGEF4 (0.46) EHMT2BRD4CHEK1RAPGEF4MAPK1
SCHEMBL20353196 0.78 TAS1R3 (0.51) RAPGEF4
SCHEMBL14577966 0.77 BRD4 (0.42) EHMT2BRD4
SCHEMBL24171954 0.75 ITK (0.52) BRD4CHEK1PRKCZ
SCHEMBL4166429 0.74 BRD4 (0.51) BRD4
SCHEMBL9312434 0.73 SYK (0.54) BRD4PRKCZMAPK1
SCHEMBL27583230 0.72 PRKCZ (0.52) BRD4CHEK1PRKCZPRKD2
SCHEMBL20281444 0.72 BRD4 (0.47) EHMT2BRD4IL1BCHEK1PRKCZ
SCHEMBL10192577 0.71 PRKCZ (0.49) BRD4CHEK1PRKCZPRKD2

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 EHMT2 2190/4885BRD4 1957/4885IL1B 1562/4885
US-20070293503-A1 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists CCR9, CCR1, CCRL2 EHMT2 2190/4885BRD4 1957/4885IL1B 1562/4885

“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.

Send feedback