SCHEMBL2390767

SCHEMBL2390767

[c]1ccc(-n2ccnn2)nc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.39
KEAP1 Q14145 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAP3K5 Q99683 1/20 0.33
EGLN2 Q96KS0 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2B6 P20813 1/20 0.31
MAOA P21397 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR3A P46098 1/20 0.31

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
SCHEMBL27783157 0.74 KCNJ1 (0.46) NOTUM
SCHEMBL896782 0.74 LMNA (0.45) NOTUM
SCHEMBL871731 0.72 NOTUM (0.59) NOTUMKEAP1CYP19A1CYP1A2CYP2C9
SCHEMBL25184270 0.72 NOTUM (0.36) NOTUMKEAP1CYP19A1MAP3K5EGLN2
SCHEMBL503233 0.71 SMN1; SMN2 (0.46) NOTUMKEAP1MAP3K5
SCHEMBL31359354 0.71 SMN1; SMN2 (0.46) NOTUMKEAP1MAP3K5
SCHEMBL28191878 0.69 NOTUM (0.41) NOTUMKEAP1CYP19A1MAP3K5
SCHEMBL12499012 0.69 MAPT (0.50)
SCHEMBL24240280 0.69 NOTUM (0.48) NOTUMKEAP1CYP19A1MAP3K5CYP1A2
SCHEMBL1235012 0.68 POLB (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 US claimed
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US claimed
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-22 US claimed
WO-2010068452-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO claimed
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 US disclosed
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-03-06 US disclosed
US-8598356-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-12-03 US disclosed
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-22 US disclosed
WO-2010068452-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 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 (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-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NOTUM 1282/4885KEAP1 1366/4885CYP19A1 985/4885
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NOTUM 1309/4885KEAP1 1215/4885CYP19A1 1039/4885
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NOTUM 1309/4885KEAP1 1215/4885CYP19A1 1039/4885

“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.