SCHEMBL2501661

SCHEMBL2501661

CS(=O)(=O)c1nnc(-c2ccccc2)c(-c2cccs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ SDHB P21912 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RXFP1 Q9HBX9 2/20 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
SCHEMBL2831959 0.83 NPSR1 (0.49) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL2504985 0.77 ALDH1A1 (0.59) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10815299 0.76 HPGD (0.46) PTGS2ALDH1A1KMT2AHPGDMAPK1
SCHEMBL2504418 0.73 ADORA1 (0.48) PTGS2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2493113 0.73 GPR84 (0.47) PTGS2SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL2495357 0.72 ADORA1 (0.48) PTGS2KMT2AHPGDMAPK1NPSR1
SCHEMBL2988938 0.71 KMT2A (0.45) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL19805771 0.68 SDHB (0.74) ALDH1A1KDM4EKMT2AHPGDMAPK1
SCHEMBL2981824 0.68 CDK1 (0.47) PTGS2ALDH1A1KDM4EKMT2AHPGD
SCHEMBL2492742 0.67 KDM4E (0.49) ALDH1A1KDM4EKMT2AHPGDSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2020-12-10 — — US disclosed
US-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2020-10-06 — — US disclosed
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-08-15 — — US disclosed
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2018-11-27 — — US disclosed
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators ARENA PHARMACEUTICALS, INC. 2017-03-02 — — US disclosed
EP-2370413-B1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2015-08-05 — — EP disclosed
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC, 2015-07-09 — — US disclosed
US-8940891-B2 Modulators of the prostacyclin (PGI2) receptor useful for the treatment of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2011-10-06 — — US disclosed
EP-2370413-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2011-10-05 — — EP disclosed
WO-2010077275-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2010-07-08 — — 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-10793529-B2 Substituted pyridazines and 1,2,4-triazines as prostacyclin receptor modulators PTGIR, PTGIS, TBXA2R PTGS2 10/4885ALDH1A1 652/4885KDM4E 4766/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 PTGS2 8/4885ALDH1A1 683/4885KDM4E 4664/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 PTGS2 8/4885ALDH1A1 704/4885KDM4E 4845/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 PTGS2 8/4885ALDH1A1 683/4885KDM4E 4664/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 PTGS2 8/4885ALDH1A1 705/4885KDM4E 4845/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 PTGS2 8/4885ALDH1A1 704/4885KDM4E 4845/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R PTGS2 10/4885ALDH1A1 652/4885KDM4E 4766/4885

“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.

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