SCHEMBL2239744

SCHEMBL2239744

CCOC(=O)C=Cc1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 1/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
CYP2A6 P11509 1/20 0.47
ALOX5 P09917 1/20 0.47
MAPT P10636 3/20 0.47
IDO1 P14902 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
TTR P02766 1/20 0.46
DPP4 P27487 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL2239741 1.00 ATP6V1B1 (0.51) ATP6V1B1PDGFRBPDGFRACYP2A6ALOX5
SCHEMBL12809345 0.84 ATP6V1B1 (0.61) ATP6V1B1PDGFRBPDGFRACYP2A6MAPT
SCHEMBL5313959 0.84 ATP6V1B1 (0.61) ATP6V1B1PDGFRBPDGFRACYP2A6MAPT
SCHEMBL24601171 0.83 CYP2A6 (0.44) PDGFRBPDGFRACYP2A6MAPTTTR
SCHEMBL951355 0.82 ALDH1A1 (0.59) PDGFRBPDGFRAMAPTCYP1A2KDM4E
SCHEMBL951357 0.82 ALDH1A1 (0.59) PDGFRBPDGFRAMAPTCYP1A2KDM4E
SCHEMBL22074483 0.82 NPC1 (0.50) PDGFRBPDGFRAMAPTCYP1A2CYP2D6
SCHEMBL14386994 0.81 CYP2A6 (0.51) ATP6V1B1PDGFRBPDGFRACYP2A6MAPT
SCHEMBL5360579 0.81 ATP6V1B1 (0.51) ATP6V1B1PDGFRBPDGFRACYP2A6MAPT
SCHEMBL5360581 0.81 ATP6V1B1 (0.51) ATP6V1B1PDGFRBPDGFRACYP2A6MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290419-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-08-07 EP disclosed
EP-3312179-B1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR NANJING SANHOME PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-12-13 US disclosed
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor NANJING SANHOME PHARMACEUTICAL CO., LTD (CN) 2018-10-09 US disclosed
EP-3312179-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-04-25 EP disclosed
US-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-15 US disclosed
EP-3290419-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2018-03-07 EP disclosed
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed
US-9096595-B2 7-(heteroaryl-amino)-6,7,8,9-tetrahydropyrido[1,2-a]indol acetic acid derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD (CH) 2015-08-04 US disclosed
EP-2697223-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2014-02-19 EP disclosed
US-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-13 US disclosed
WO-2012140612-A1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2012-10-18 WO disclosed
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-08-18 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 (5 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-20180072704-A1 Fused-Ring Or Tricyclic Aryl Pyrimidine Compound Used As Kinase Inhibitor EGFR, ERBB2, ERBB4 ATP6V1B1 2123/4885PDGFRB 27/4885PDGFRA 33/4885
US-20140045870-A1 7-(Heteroaryl-Amino)-6,7,8,9-Tetrahydropyrido[1,2-A]Indol Acetic Acid Derivatives and Their Use as Prostaglandin D2 Receptor Modulators PTGDR, PTGDR2, PTGER1 ATP6V1B1 1451/4885PDGFRB 648/4885PDGFRA 401/4885
US-10093656-B2 Fused-ring or tricyclic aryl pyrimidine compound used as kinase inhibitor EGFR, ERBB2, ERBB4 ATP6V1B1 2123/4885PDGFRB 27/4885PDGFRA 33/4885
US-20110201641-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS HRH2, MTNR1B, MTNR1A ATP6V1B1 3492/4885PDGFRB 1785/4885PDGFRA 2170/4885
US-20180354953-A1 FUSED-RING OR TRICYCLIC ARYL PYRIMIDINE COMPOUND USED AS KINASE INHIBITOR EGFR, ERBB2, ERBB4 ATP6V1B1 2123/4885PDGFRB 27/4885PDGFRA 33/4885

“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.