SCHEMBL2499562

SCHEMBL2499562

CSc1nnc(-c2ccccc2)c(-c2cccc(F)c2)n1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.73
▸ ADORA1 P30542 5/20 0.50
▸ ADORA2A P29274 5/20 0.50
▸ TP53 P04637 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ADORA2B P29275 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ LHCGR P22888 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RECQL P46063 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
SCHEMBL2830170 0.86 NPSR1 (1.00) NPSR1ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL31582321 0.86 NPSR1 (1.00) NPSR1ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2497926 0.84 NPSR1 (0.76) NPSR1ADORA1ADORA2AKDM4EADORA2B
SCHEMBL11711547 0.79 NPSR1 (0.68) NPSR1ADORA1ADORA2ATP53KDM4E
SCHEMBL10812882 0.78 NPSR1 (0.67) NPSR1ADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2501529 0.78 NPSR1 (0.83) NPSR1ADORA1ADORA2ATP53ALDH1A1
SCHEMBL2322670 0.77 ADORA2A (0.74) ADORA1ADORA2AADORA2B
SCHEMBL2513419 0.77 NPSR1 (0.64) NPSR1ADORA1ADORA2ATP53KDM4E
SCHEMBL10808538 0.76 NPSR1 (0.79) NPSR1ADORA1ADORA2AKDM4EADORA2B
SCHEMBL2498670 0.75 NPSR1 (0.76) NPSR1ADORA1ADORA2AALDH1A1LMNA

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 NPSR1 612/4885ADORA1 501/4885ADORA2A 224/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPSR1 680/4885ADORA1 415/4885ADORA2A 207/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 870/4885ADORA1 501/4885ADORA2A 533/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPSR1 680/4885ADORA1 415/4885ADORA2A 207/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 872/4885ADORA1 504/4885ADORA2A 535/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 870/4885ADORA1 501/4885ADORA2A 533/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R NPSR1 612/4885ADORA1 501/4885ADORA2A 224/4885

“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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