SCHEMBL1752302

SCHEMBL1752302

COc1ccc(Cn2c(NCCN(C(=N)N)c3ccccn3)nc(=O)n(Cc3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 19/20 0.61
PROKR2 Q8NFJ6 3/20 0.51
P2RX3 P56373 1/20 0.44

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
SCHEMBL5058307 0.88 PROKR1 (0.68) PROKR1PROKR2
SCHEMBL2031947 0.87 PROKR1 (0.63) PROKR1PROKR2
SCHEMBL5054615 0.82 PROKR1 (0.64) PROKR1PROKR2P2RX3
SCHEMBL2027078 0.82 PROKR1 (0.62) PROKR1PROKR2P2RX3
SCHEMBL5960121 0.80 PROKR1 (0.73) PROKR1PROKR2
SCHEMBL3731350 0.79 PROKR1 (0.58) PROKR1PROKR2P2RX3
SCHEMBL3731352 0.79 PROKR1 (0.64) PROKR1PROKR2
SCHEMBL326449 0.77 PROKR1 (0.82) PROKR1PROKR2P2RX3
SCHEMBL8528608 0.75 PROKR1 (0.74) PROKR1PROKR2
SCHEMBL1751295 0.74 PROKR1 (0.60) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245077-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R (US) 2012-09-27 US disclosed
US-8188081-B2 Methods of treating inflammation using prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-05-29 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-20110136811-A1 PROKINETICIN 1 RECEPTOR MABUS JOHN R 2011-06-09 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 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 (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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR PROKR1 2/4885PROKR2 1/4885P2RX3 663/4885
US-20060235018-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885P2RX3 710/4885
US-20110136811-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885P2RX3 514/4885
US-20120245077-A1 PROKINETICIN 1 RECEPTOR PROKR1, PROKR2, GIPR PROKR1 1/4885PROKR2 2/4885P2RX3 514/4885

“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.