SCHEMBL2504985

SCHEMBL2504985

Cc1ccc(-c2nnc(S(C)(=O)=O)nc2-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ TDP1 Q9NUW8 1/20 0.53
▸ PTGS2 P35354 3/20 0.44
▸ ADORA2A P29274 3/20 0.44
▸ ADORA1 P30542 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GPR84 Q9NQS5 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA2B P29275 1/20 0.41

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 0.92 NPSR1 (0.49) ALDH1A1PTGS2ADORA2AADORA1KDM4E
SCHEMBL2497574 0.88 ALDH1A1 (0.47) ALDH1A1TDP1PTGS2ADORA2AADORA1
SCHEMBL2504418 0.87 ADORA1 (0.48) ALDH1A1PTGS2ADORA2AADORA1KDM4E
SCHEMBL2500327 0.86 PTGS2 (0.48) ALDH1A1PTGS2KDM4ENPSR1NPC1
SCHEMBL10815299 0.83 HPGD (0.46) ALDH1A1PTGS2ADORA2AADORA1NPSR1
SCHEMBL2493113 0.81 GPR84 (0.47) PTGS2ADORA2AADORA1GPR84POLB
SCHEMBL2495357 0.80 ADORA1 (0.48) PTGS2ADORA2AADORA1NPSR1HSD17B10
SCHEMBL2501661 0.77 PTGS2 (0.44) ALDH1A1PTGS2ADORA2AADORA1KDM4E
SCHEMBL16659834 0.75 TDP1 (0.79) ALDH1A1TDP1ADORA2AADORA1KDM4E
SCHEMBL26867246 0.75 TDP1 (0.79) ALDH1A1TDP1ADORA2AADORA1KDM4E

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 ALDH1A1 652/4885TDP1 1472/4885PTGS2 10/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 ALDH1A1 683/4885TDP1 1806/4885PTGS2 8/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 ALDH1A1 704/4885TDP1 1395/4885PTGS2 8/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 ALDH1A1 683/4885TDP1 1806/4885PTGS2 8/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 ALDH1A1 705/4885TDP1 1379/4885PTGS2 8/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 ALDH1A1 704/4885TDP1 1395/4885PTGS2 8/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R ALDH1A1 652/4885TDP1 1472/4885PTGS2 10/4885

“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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