SCHEMBL5118207

SCHEMBL5118207

CCCc1c(Cc2ccnn2-c2ncccc2C#N)ncn2nc(C)nc12

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL5119310 0.91 — —
SCHEMBL5118983 0.90 — —
SCHEMBL5114531 0.90 — —
SCHEMBL5110489 0.89 KDM4E (0.30) KDM4E
SCHEMBL5110898 0.89 ALDH1A1 (0.33) ALDH1A1MAPT
SCHEMBL5108595 0.89 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL5105582 0.89 — —
SCHEMBL14289577 0.88 — —
SCHEMBL5112364 0.88 — —
SCHEMBL5118965 0.87 KDM4E (0.31) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 — — US disclosed
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 — — US disclosed
US-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives NEUROGEN CORPORATION 2008-01-03 — — 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-20080004269-A1 Pyrazolylmethy Heteroaryl Derivatives GABBR1, GABRR1, GABRR3 PKM 943/4885KDM4E 2740/4885ALDH1A1 1753/4885

“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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