SCHEMBL2261177

SCHEMBL2261177

CCNCc1cnc(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.40
CYP3A4 P08684 18/20 0.40
CLK4 Q9HAZ1 10/20 0.40
HSD17B10 Q99714 8/20 0.40
CYP2D6 P10635 6/20 0.40
CYP2C19 P33261 5/20 0.40
TSHR P16473 5/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 8/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CASP7 P55210 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL1196784 0.82 CYP1A2 (0.40) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL5833062 0.79 CYP1A2 (0.38) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL5833413 0.79 CYP1A2 (0.38) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL24180048 0.79 CYP1A2 (0.42) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL14279028 0.79 OPRM1 (0.39) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL3984933 0.78 CYP1A2 (0.42) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
Ethylenediamine SCHEMBL5884629 0.77 TLR7 (0.39) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL15587859 0.77 CYP1A2 (0.41) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL402004 0.76 CYP1A2 (0.41) CYP1A2CYP3A4CLK4HSD17B10CYP2D6
SCHEMBL5884618 0.76 TLR7 (0.36) CYP1A2CYP3A4CLK4HSD17B10CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4268824-A1 IMIDAZO[2,1-F][1,2,4]TRIAZINE DERIVATIVES USEFUL AS A MEDICAMENT Manros Therapeutics (FR) 2023-11-01 EP disclosed
US-8372973-B2 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2013-02-12 US disclosed
CN-101460453-B Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD 2012-10-03 CN disclosed
US-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2012-02-02 US disclosed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US disclosed
US-8003654-B2 N-glycinsulfonamide derivatives and uses as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2011-08-23 US disclosed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US disclosed
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2010-10-21 US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2009-11-05 US disclosed
CN-101460453-A Novel sulfonamide compounds ACTELION PHARMACEUTICALS LTD (CH) 2009-06-17 CN disclosed
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP disclosed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US disclosed
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS WYETH (US) 2008-10-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO disclosed
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs WYETH (US) 2007-10-18 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-20120028997-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR CYP1A2 3611/4885CYP3A4 3830/4885CLK4 4389/4885
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 CYP1A2 3333/4885CYP3A4 4099/4885CLK4 3686/4885
US-20100266556-A1 METHOD FOR EXPANDING HEMATOPOIETIC STEM CELLS USING HETEROCYCLIC COMPOUND HCLS1, RUNX1, ACIN1 CYP1A2 2808/4885CYP3A4 3114/4885CLK4 4036/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR CYP1A2 3611/4885CYP3A4 3830/4885CLK4 4389/4885
US-20070244140-A1 Anilino-pyrimidine phenyl and benzothiophene analogs HPRT1, APRT, NUDT1 CYP1A2 255/4885CYP3A4 195/4885CLK4 3921/4885
US-20080262010-A1 CRYSTALLINE POLYMORPHS OF N-(3-(DIMETHYLAMINO)PROPYL)-4-(4-(3-FLUORO-4-METHOXYPHENYL) PYRIMIDIN-2-YLAMINO) BENZENESULFONAMIDE AS D-GLUCORONATE SALTS GALE, UGGT1, UGT1A3 CYP1A2 385/4885CYP3A4 57/4885CLK4 2963/4885
US-20090275588-A1 NOVEL SULFONAMIDE COMPOUNDS HCRTR2, HCRTR1, NPSR1 CYP1A2 3485/4885CYP3A4 3312/4885CLK4 4331/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR CYP1A2 2416/4885CYP3A4 3970/4885CLK4 3800/4885

“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.