SCHEMBL3655258

SCHEMBL3655258

CNc1nc2ccccc2n1CCNc1nc(=O)n(Cc2ccc(F)cc2)c(=O)n1Cc1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.62
PROKR1 Q8TCW9 13/20 0.59
PROKR2 Q8NFJ6 3/20 0.54
SSTR5 P35346 2/20 0.51
TP53 P04637 3/20 0.50
LMNA P02545 3/20 0.50
EED O75530 2/20 0.50
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 1/20 0.50
MLNR O43193 1/20 0.50
CACNA1F O60840 1/20 0.50
USP2 O75604 1/20 0.50
ABCB11 O95342 1/20 0.50
EGFR P00533 1/20 0.50
HLA-A P04439 1/20 0.50
ERBB2 P04626 1/20 0.50
CYP1A2 P05177 1/20 0.50
LCK P06239 1/20 0.50

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
SCHEMBL9008000 0.90 PROKR1 (0.62) KCNH2PROKR1PROKR2SSTR5TP53
SCHEMBL3654469 0.89 PROKR1 (0.59) KCNH2PROKR1PROKR2SSTR5TP53
SCHEMBL326449 0.79 PROKR1 (0.82) PROKR1PROKR2MAPTMEN1USP2
SCHEMBL13801510 0.79 PROKR1 (0.59) KCNH2PROKR1PROKR2
SCHEMBL13351525 0.76 RAB9A (0.64) KCNH2SSTR5LMNAMAPTSMN1; SMN2
SCHEMBL13801512 0.76 PROKR1 (0.64) PROKR1PROKR2MAPTMEN1USP2
SCHEMBL325742 0.75 PROKR1 (0.68) PROKR1PROKR2MAPTMEN1USP2
SCHEMBL5960121 0.75 PROKR1 (0.73) PROKR1PROKR2
SCHEMBL3652312 0.74 PROKR1 (0.57) KCNH2PROKR1PROKR2
SCHEMBL8528608 0.73 PROKR1 (0.74) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 EP disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 US disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO 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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KCNH2 3165/4885PROKR1 1/4885PROKR2 2/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR KCNH2 3165/4885PROKR1 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.