SCHEMBL896857

SCHEMBL896857

[c]1cnc(-c2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGDS O60760 10/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NTSR1 P30989 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL7916999 0.79 NPC1 (0.32) NPC1RAB9ANFKB1NFKB2RELA
Water SCHEMBL9051780 0.78 NPC1 (0.59) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16667750 0.77 MAPT (0.48) NPC1RAB9ASMN1; SMN2L3MBTL1HPGDS
SCHEMBL2440425 0.75 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ADORA3MEN1
SCHEMBL27793142 0.75 MEN1 (0.58) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL3222374 0.75 CYP2A6 (0.69) SMN1; SMN2ALDH1A1HPGDSMAPTHPGD
SCHEMBL28062294 0.75 NPC1 (0.62) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL33833 0.75 NPC1 (0.62) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL16719539 0.73 HPGDS (0.47) HPGDSMEN1KMT2AMAPT
SCHEMBL16719476 0.73 HSD17B1 (0.61) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US claimed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO claimed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP claimed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US claimed
US-8877769-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase JANSEEN PHARMACEUTICA NV (BG) 2014-11-04 US claimed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US claimed
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-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
US-8461159-B2 Heteroaryl-substituted urea modulators of fatty acid amide hydrolase Jannsen Pharmaceutica BV (BE) 2013-06-11 US claimed
CN-102906093-A Novel nk-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in nk-3 receptors mediated disorders EUROSCREEN SA 2013-01-30 CN claimed
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-04-05 US claimed
US-20110237596-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-09-29 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-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2021-08-19 US disclosed
WO-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-5162319-A 1,2,4-Triazine Derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-10 US disclosed
US-5124329-A For plants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-23 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 (8 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 NPC1 570/4885RAB9A 2401/4885NFKB1 2128/4885
US-20110230490-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1573/4885RAB9A 1675/4885NFKB1 1215/4885
US-20140221322-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1391/4885RAB9A 1709/4885NFKB1 1084/4885
US-20140066412-A1 HETEROARYL SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1391/4885RAB9A 1709/4885NFKB1 1084/4885
US-20130245022-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1573/4885RAB9A 1675/4885NFKB1 1215/4885
US-20120083476-A1 HETEROARYL-SUBSTITUTED SPIROCYCLIC DIAMINE UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, DBH NPC1 1281/4885RAB9A 1530/4885NFKB1 2269/4885
US-20210253562-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, FFAR3, PTGES3 NPC1 2850/4885RAB9A 3186/4885NFKB1 3328/4885
US-20110237596-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 NPC1 1573/4885RAB9A 1675/4885NFKB1 1215/4885

“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.