SCHEMBL8520527

SCHEMBL8520527

COc1ccc(Cn2c(C(=O)NCCNC(=N)N)cc(=O)n(Cc3ccc(OC)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
MAPT P10636 2/20 0.43
PROKR1 Q8TCW9 9/20 0.42
KLKB1 P03952 1/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PROKR2 Q8NFJ6 1/20 0.40
HDAC1 Q13547 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
SCHEMBL1752475 0.88 PROKR1 (0.48) F10MAPTPROKR1KLKB1TP53
SCHEMBL2635865 0.84 PROKR1 (0.45) MAPTPROKR1PROKR2
SCHEMBL8505365 0.82 PROKR1 (0.42) MAPTPROKR1PROKR2
SCHEMBL5175180 0.81 PROKR1 (0.42) PROKR1PROKR2
SCHEMBL8515109 0.81 PROKR1 (0.42) MAPTPROKR1GAAPROKR2
SCHEMBL5427195 0.81 PROKR1 (0.48) MAPTPROKR1PROKR2
SCHEMBL12059847 0.80 PROKR1 (0.49) MAPTPROKR1SMN1; SMN2PROKR2
SCHEMBL13801523 0.78 ALDH1A1 (0.48) MAPTGAASMN1; SMN2
SCHEMBL2635634 0.78 CCR2 (0.58) MAPT
SCHEMBL10267964 0.78 RGS4 (0.42) PROKR1TP53PROKR2

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 8 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
WO-2012006003-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO disclosed
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-7968710-B2 Gastrointestinal disorders;inflammatory bowel disorders; gastroesophageal reflux; constipation JANSSEN PHARMACEUTICA NV (BE) 2011-06-28 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20080045535-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 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-20080045535-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR F10 2567/4885MAPT 4073/4885PROKR1 2/4885
US-20120129862-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR F10 2183/4885MAPT 4202/4885PROKR1 1/4885
US-20110319418-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 F10 1282/4885MAPT 4418/4885PROKR1 1/4885

“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.