SCHEMBL896506

SCHEMBL896506

O=C(Nc1cnc2[nH]ccc2c1)Oc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.49
CDK8 P49336 5/20 0.48
AXL P30530 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.46
RAD51 Q06609 1/20 0.46
TNIK Q9UKE5 1/20 0.45
PIK3CA P42336 1/20 0.45
MTOR P42345 1/20 0.45
KDM4E B2RXH2 2/20 0.45
FAAH O00519 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
THRB P10828 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL14657767 0.83 BRAF (0.55) ALDH1A1MAPTCYP1A2RAD51KDM4E
SCHEMBL31129260 0.82 KIT (0.57) KITCDK8TNIKPIK3CAMTOR
SCHEMBL3502492 0.81 ROCK2 (0.63) AXLMAPT
SCHEMBL1370777 0.81 CDK8 (0.56) KITCDK8AXLMAPTPIK3CA
SCHEMBL2394530 0.81 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2RAD51KDM4E
SCHEMBL3499511 0.80 KIT (0.61) KITCDK8AXLPIK3CAMTOR
SCHEMBL4128043 0.80 KDR (0.63) KITCDK8AXLALDH1A1MAPT
SCHEMBL29429732 0.80 KDR (0.63) KITCDK8AXLALDH1A1MAPT
SCHEMBL4108874 0.80 KDR (0.63) ALDH1A1MAPTKDM4EHSD17B10SMN1; SMN2
SCHEMBL16150269 0.77 KIT (0.56) KITPIK3CAMTORKDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8901111-B2 Aryl-substituted heterocyclic urea modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-02 US disclosed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US disclosed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US disclosed
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US disclosed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US disclosed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-12 US disclosed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US disclosed
US-8044052-B2 Inhibitors of fatty acid amide hydrolase; N-pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide; elevate brain anandamide levels; pain, urinary incontinence, cognitive disorders, anxiety, depression, sleeping, eating, movement disorders, glaucoma, psoriasis PFIZER INC. (US) 2011-10-25 US disclosed
US-20110237596-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-29 US disclosed
US-20110237596-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-29 US disclosed
US-20110060012-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. 2011-03-10 US disclosed
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS PFIZER INC. (US) 2011-03-03 US disclosed
EP-2076508-B1 BIARYL ETHER UREA COMPOUNDS PFIZER PROD INC (US) 2011-01-05 EP disclosed
WO-2010141817-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010141809-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-09 WO disclosed
WO-2010068453-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20080261941-A1 Biaryl Ether Urea Compounds Jazz Pharmaceuticals Therapeutics, Inc. 2008-10-23 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 (7 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-20110060012-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE 5-MEMBERED ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 KIT 1308/4885CDK8 2347/4885AXL 2474/4885
US-20110053949-A1 4-[3-(ARYLOXY)BENZYLIDENE]-3-METHYL PIPERIDINE ARYL CARBOXAMIDE COMPOUNDS USEFUL AS FAAH INHIBITORS FAAH, FAAH2, CNR2 KIT 1472/4885CDK8 2491/4885AXL 2597/4885
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KIT 2647/4885CDK8 802/4885AXL 1722/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH KIT 4124/4885CDK8 1023/4885AXL 967/4885
US-20110237596-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 KIT 2647/4885CDK8 802/4885AXL 1722/4885
US-20080261941-A1 Biaryl Ether Urea Compounds FAAH, FAAH2, LIPC KIT 1969/4885CDK8 979/4885AXL 1756/4885
US-20120088741-A1 ARYL-SUBSTITUTED HETEROCYCLIC UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, APEH KIT 3556/4885CDK8 972/4885AXL 425/4885

“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.