SCHEMBL14642855

SCHEMBL14642855

COCCn1c(-c2c[nH]c(-c3ccc4sccc4c3)n2)nc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.42
▸ CYP11B2 P19099 5/20 0.38
▸ CYP11B1 P15538 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ BRD4 O60885 3/20 0.34
▸ CASR P41180 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ ACSS2 Q9NR19 1/20 0.33
▸ DAPK3 O43293 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PRKACA P17612 1/20 0.32
▸ LTK P29376 1/20 0.32

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
SCHEMBL12284051 0.88 PTGER4 (0.41) PTGER4CYP11B2CYP11B1KDM4ERECQL
Hydrochloric Acid SCHEMBL2552919 0.87 PTGER4 (0.41) PTGER4CYP11B2CYP11B1KDM4ERECQL
SCHEMBL14576317 0.81 PTGER4 (0.49) PTGER4KDM4ERECQLHSD17B10HPGD
SCHEMBL14616789 0.80 PTGER4 (0.44) PTGER4KDM4ERECQLHSD17B10HPGD
SCHEMBL14616788 0.79 PTGER4 (0.51) PTGER4KDM4ERIPK2
SCHEMBL2554816 0.76 KDM4E (0.37) PTGER4KDM4ERECQLHSD17B10HPGD
SCHEMBL2552122 0.75 PTGER4 (0.37) PTGER4CYP11B2CYP11B1KDM4ERECQL
SCHEMBL2551655 0.75 RIPK2 (0.37) PTGER4KDM4ERECQLHSD17B10HPGD
SCHEMBL2551037 0.75 PTGER4 (0.39) PTGER4KDM4ERECQLHSD17B10HPGD
SCHEMBL14576227 0.73 KDM4E (0.39) PTGER4KDM4ERECQLHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-17 — — 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-20130018039-A1 IMIDAZOLYL-IMIDAZOLES AS KINASE INHIBITORS MAP3K19, MAP3K20, MAP3K3 PTGER4 3190/4885CYP11B2 2761/4885CYP11B1 2533/4885

“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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