SCHEMBL14616757

SCHEMBL14616757

COCCn1c(-c2c[nH]c(C)n2)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.64
▸ KDM4E B2RXH2 7/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ CASR P41180 1/20 0.56
▸ HSD17B10 Q99714 3/20 0.55
▸ RECQL P46063 1/20 0.55
▸ BRD4 O60885 1/20 0.52
▸ RAB9A P51151 4/20 0.49
▸ TSHR P16473 4/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ TP53 P04637 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ NSD2 O96028 1/20 0.48
▸ IDO1 P14902 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ CASP7 P55210 1/20 0.48

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
SCHEMBL14616759 0.85 HPGD (0.69) HPGDKDM4EALDH1A1SMN1; SMN2CASR
SCHEMBL2554431 0.82 HPGD (0.57) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7171387 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7178149 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7175782 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7183276 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7178948 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7175740 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
Hydrochloric Acid SCHEMBL7172137 0.80 HPGD (0.68) HPGDKDM4EALDH1A1SMN1; SMN2CASR
SCHEMBL5374411 0.78 HPGD (1.00) HPGDKDM4EALDH1A1SMN1; SMN2CASR

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 HPGD 3449/4885KDM4E 764/4885ALDH1A1 2664/4885

“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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