SCHEMBL5119998

SCHEMBL5119998

CCCc1c(Cc2ccnn2-c2cccc(C#N)n2)ncn2nc(COC)nc12

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL5114225 0.93 — —
SCHEMBL5119916 0.92 — —
SCHEMBL5104979 0.90 — —
SCHEMBL5113617 0.90 — —
SCHEMBL5118994 0.87 ALDH1A1 (0.31) MAPTALDH1A1HPGDKDM4E
SCHEMBL5119053 0.84 — —
SCHEMBL5111415 0.84 — —
SCHEMBL5105725 0.84 ALDH1A1 (0.30) MAPTALDH1A1
SCHEMBL14289590 0.83 IRAK4 (0.30) —
SCHEMBL5121033 0.80 ALDH1A1 (0.32) MAPTALDH1A1HPGDKDM4E

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-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
WO-2006052546-A2 PYRAZOLYLMETHYL HETEROARYL DERIVATIVES NEUROGEN CORPORATION (US) 2006-05-18 — — 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 (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 MAPT 2684/4885ALDH1A1 1753/4885POLB 4469/4885

“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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