SCHEMBL20928752

SCHEMBL20928752

CSc1ccnc(CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
PTPRC P08575 2/20 0.36
PTPRF P10586 1/20 0.36
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
CYP1A2 P05177 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
GRM4 Q14833 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
TP53 P04637 2/20 0.33

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
SCHEMBL24295711 0.82 CYP1A2 (0.46) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL12670183 0.80 NOS3 (0.37) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL7666540 0.80 PTPRC (0.38) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL11628001 0.80 NOS3 (0.37) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL24713413 0.77 SLC6A4 (0.37) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL24713302 0.77 NOS3 (0.42) NOS3NOS1NOS2PTPRCPTPRF
SCHEMBL510182 0.72
SCHEMBL18427398 0.72 CXCR4 (0.47) PTPRCSMN1; SMN2CYP1A2CYP2C19KMT2A
SCHEMBL13541414 0.72 RECQL (0.61) NOS3NOS1NOS2CSNK1DCSNK1E
SCHEMBL5115940 0.71 NOS3 (0.55) NOS3NOS1NOS2CSNK1DCSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-11241013-B2 Benzimidazole compounds as agricultural chemicals REDAG CROP PROT LTD (GB) 2022-02-08 US disclosed
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROT LTD (GB) 2021-07-08 US disclosed
WO-2019077345-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS REDAG CROP PROTECTION LTD (GB) 2019-04-25 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 (3 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-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF NOS3 3935/4885NOS1 4188/4885NOS2 4063/4885
US-11241013-B2 Benzimidazole compounds as agricultural chemicals CYP3A4, CYP2C8, CYP2E1 NOS3 1730/4885NOS1 2973/4885NOS2 2119/4885
US-20210204547-A1 BENZIMIDAZOLE COMPOUNDS AS AGRICULTURAL CHEMICALS CYP3A4, CYP2C8, CYP2E1 NOS3 1730/4885NOS1 2973/4885NOS2 2119/4885

“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.