SCHEMBL3585422

SCHEMBL3585422

O=C(O)Cn1cnc2cccnc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
TP53 P04637 1/20 0.61
PABPC1 P11940 1/20 0.61
KMT2A Q03164 1/20 0.61
PTGS2 P35354 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.46
CXCR3 P49682 9/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL10423399 0.85 MEN1 (0.56) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL9850780 0.84 EGLN3 (0.63) MEN1TP53PABPC1KMT2AEGLN3
SCHEMBL2194087 0.81 KMT2A (0.52) MEN1TP53PABPC1KMT2AEGLN3
SCHEMBL16879622 0.80 MEN1 (0.50) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL15491688 0.79 TP53 (0.50) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL15484962 0.79 LMNA (0.51) MEN1TP53PABPC1KMT2A
SCHEMBL2220958 0.79 KMT2A (0.50) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL3588649 0.79 TP53 (0.53) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL2222060 0.76 TP53 (0.47) MEN1TP53PABPC1KMT2ACXCR3
SCHEMBL1035783 0.76 EGLN3 (0.71) PTGS2EGLN3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-12-27 US disclosed
EP-3245203-B1 HYDROXYALKYL-PIPERAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-14 EP disclosed
US-10053457-B2 Hydroxyalkyl-piperazine derivatives as CXCR3 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2018-08-21 US disclosed
EP-3122741-B1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-06-06 EP disclosed
US-9951063-B2 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-24 US disclosed
EP-2888261-B1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX INC (US) 2018-04-18 EP disclosed
US-20180009799-A1 HYDROXYALKYL-PIPERAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-11 US disclosed
EP-3245203-A1 HYDROXYALKYL-PIPERAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2017-11-22 EP disclosed
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-20 US disclosed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-01-29 US disclosed
CN-101115764-A New macrolides BASILEA PHARMACEUTICA AG (CH) 2008-01-30 CN disclosed
WO-2007100610-A2 PYRIDINE, PYRIMIDINE AND PYRAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-09-07 WO disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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 (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-10053457-B2 Hydroxyalkyl-piperazine derivatives as CXCR3 receptor modulators CXCR3, CXCR1, CXCR2 MEN1 4604/4885TP53 2340/4885PABPC1 4832/4885
US-20170107214-A1 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES CXCR3, CXCR1, CXCR2 MEN1 3348/4885TP53 1748/4885PABPC1 4695/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 MEN1 4760/4885TP53 3706/4885PABPC1 1582/4885
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 MEN1 4040/4885TP53 2065/4885PABPC1 3837/4885
US-20180009799-A1 HYDROXYALKYL-PIPERAZINE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS CXCR3, CXCR1, CXCR2 MEN1 4604/4885TP53 2340/4885PABPC1 4832/4885
US-20090030012-A1 Pyridine, Pyrimidine and Pyrazine Derivatives as Cxcr3 Receptor Modulators CXCR3, CXCR1, CXCR5 MEN1 4812/4885TP53 1065/4885PABPC1 2808/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MEN1 4848/4885TP53 2604/4885PABPC1 4058/4885

“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.