SCHEMBL2513419

SCHEMBL2513419

CSc1nnc(-c2ccc(C)cc2)c(-c2cccc(C)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.64
▸ ALDH1A1 P00352 4/20 0.49
▸ TDP1 Q9NUW8 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ LMNA P02545 4/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAPDH P04406 1/20 0.40

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
SCHEMBL10812882 0.94 NPSR1 (0.67) NPSR1ALDH1A1TDP1POLBADORA2A
SCHEMBL2497926 0.93 NPSR1 (0.76) NPSR1ALDH1A1ADORA2AADORA1LMNA
SCHEMBL2501529 0.88 NPSR1 (0.83) NPSR1ALDH1A1TDP1TP53POLB
SCHEMBL10812615 0.87 NPSR1 (0.70) NPSR1ALDH1A1TDP1TP53POLB
SCHEMBL10847185 0.86 NPSR1 (0.56) NPSR1ALDH1A1TDP1POLBADORA2A
SCHEMBL2501028 0.80 NPSR1 (0.60) NPSR1ALDH1A1TDP1TP53POLB
SCHEMBL31582321 0.79 NPSR1 (1.00) NPSR1ALDH1A1TDP1POLBADORA2A
SCHEMBL2830170 0.79 NPSR1 (1.00) NPSR1ALDH1A1TDP1POLBADORA2A
SCHEMBL11719116 0.78 NPSR1 (0.57) NPSR1TP53POLBKMT2AMAPT
SCHEMBL2499562 0.77 NPSR1 (0.73) NPSR1ALDH1A1TP53ADORA2AADORA1

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 9 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

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 612/4885ALDH1A1 652/4885TDP1 1472/4885
US-10138210-B2 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPSR1 680/4885ALDH1A1 683/4885TDP1 1806/4885
US-20110245251-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 870/4885ALDH1A1 704/4885TDP1 1395/4885
US-20170057931-A1 Substituted pyridazines as prostacyclin receptor modulators PTGIR, PTGIS, PTGER1 NPSR1 680/4885ALDH1A1 683/4885TDP1 1806/4885
US-20190248749-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 872/4885ALDH1A1 705/4885TDP1 1379/4885
US-20150191454-A1 MODULATORS OF THE PROSTACYCLIN (PGI2) RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO PTGIR, PTGIS, PTGER1 NPSR1 870/4885ALDH1A1 704/4885TDP1 1395/4885
US-20200385357-A1 SUBSTITUTED PYRIDAZINES AND 1,2,4-TRIAZINES AS PROSTACYCLIN RECEPTOR MODULATORS PTGIR, PTGIS, TBXA2R NPSR1 612/4885ALDH1A1 652/4885TDP1 1472/4885

“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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