SCHEMBL1752541

SCHEMBL1752541

COc1ccc(Cn2c(NCCNC(N)=NC(C)C)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 20/20 0.72
PROKR2 Q8NFJ6 2/20 0.56

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
SCHEMBL8280068 0.88 PROKR1 (0.71) PROKR1PROKR2
SCHEMBL10267954 0.87 PROKR1 (0.75) PROKR1PROKR2
SCHEMBL1752539 0.84 PROKR1 (0.65) PROKR1PROKR2
SCHEMBL8280069 0.83 PROKR1 (0.77) PROKR1PROKR2
SCHEMBL326177 0.82 PROKR1 (0.72) PROKR1PROKR2
SCHEMBL2034423 0.81 PROKR1 (0.68) PROKR1PROKR2
SCHEMBL8528608 0.79 PROKR1 (0.74) PROKR1PROKR2
SCHEMBL326896 0.76 PROKR1 (0.81) PROKR1PROKR2
SCHEMBL2635446 0.76 PROKR1 (0.64) PROKR1PROKR2
SCHEMBL8280045 0.76 PROKR1 (0.66) PROKR1PROKR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866290-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-05-01 EP disclosed
US-8362247-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-29 US disclosed
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-05-24 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-7825117-B2 Methods of modulating intestine epithelial functions JANSSEN PHARMACEUTICA NV (BE) 2010-11-02 US disclosed
US-20070021422-A1 Prokineticin 1 receptor JANSSEN PHARMACEUTICA NV (BE) 2007-01-25 US disclosed
US-20060235018-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-19 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 (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-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885
US-20070021422-A1 Prokineticin 1 receptor PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885

“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.