SCHEMBL26140304

SCHEMBL26140304

CCOCOc1ccc(C(=O)OC)nc1C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR4 O95977 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ MRGPRX4 Q96LA9 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ PTGER4 P35408 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ IAPP P10997 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL26140303 0.84 GRM5 (0.40) GRM5MRGPRX4MAPK1PTGER4CYP1A2
SCHEMBL19915961 0.73 S1PR4 (0.61) S1PR4GRM5NPSR1KMT2AKDM4E
SCHEMBL6509581 0.73 KDM4E (0.50) GRM5MRGPRX4MAPK1PTGER4NPSR1
SCHEMBL2490015 0.72 KMT2A (0.45) S1PR4GRM5MAPK1NPSR1KMT2A
SCHEMBL2486981 0.72 KMT2A (0.45) S1PR4GRM5MAPK1NPSR1KMT2A
SCHEMBL31620653 0.72 GRM5 (0.49) GRM5MRGPRX4MAPK1PTGER4CYP1A2
SCHEMBL30503268 0.71 S1PR4 (0.43) S1PR4NPSR1KMT2AKDM4EL3MBTL1
SCHEMBL15402088 0.71 S1PR4 (0.43) S1PR4NPSR1KMT2AKDM4EL3MBTL1
SCHEMBL16742565 0.71 MRGPRX4 (0.44) S1PR4MRGPRX4MAPK1IAPP
SCHEMBL17513664 0.70 KMT2A (0.39) S1PR4GRM5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 — — 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 (1 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 S1PR4 342/4885GRM5 894/4885MRGPRX4 144/4885

“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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