SCHEMBL14616759

SCHEMBL14616759

COCCn1c(-c2c[nH]c(-c3ccccc3)n2)nc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.69
▸ KDM4E B2RXH2 7/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ CASR P41180 1/20 0.55
▸ HSD17B10 Q99714 3/20 0.54
▸ RECQL P46063 1/20 0.54
▸ BRD4 O60885 1/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ NSD2 O96028 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ TDO2 P48775 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ TSHR P16473 5/20 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
SCHEMBL2554431 0.91 HPGD (0.57) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL14616757 0.85 HPGD (0.64) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL5374411 0.82 HPGD (1.00) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL2555588 0.82 HPGD (0.49) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL14576973 0.81 PTGER4 (0.61) HPGDKMT2APTGER4
SCHEMBL14575950 0.78 RIPK2 (0.49) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL14575975 0.78 RIPK2 (0.43) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL2554274 0.78 RIPK2 (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
SCHEMBL14576869 0.77 KDM4E (0.49) HPGDKDM4ESMN1; SMN2ALDH1A1CASR
Hydrochloric Acid SCHEMBL7178948 0.76 HPGD (0.68) HPGDKDM4ESMN1; SMN2ALDH1A1CASR

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 764/4885SMN1; SMN2 3901/4885

“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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