SCHEMBL7246248

SCHEMBL7246248

CCCn1c(CN)nc2cc(CO[Si](C)(C)C(C)(C)C)ccc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CNR2 P34972 7/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ F2 P00734 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33

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
SCHEMBL5103560 0.88 CNR2 (0.39) TP53KMT2AMEN1PKMCNR2
SCHEMBL5110851 0.84 MAPT (0.36) TP53KMT2AMEN1PKMCNR2
SCHEMBL6299933 0.81 AAK1 (0.37) TP53CNR2CNR1F2POLB
SCHEMBL31069471 0.74 POLB (0.46) KMT2AF2HDAC1POLBLMNA
SCHEMBL5109494 0.73 TBXA2R (0.38) CNR2CNR1F2
SCHEMBL20529246 0.70 MAOB (0.43) KMT2AMEN1
SCHEMBL2031499 0.70 ALDH1A1 (0.42) POLB
SCHEMBL8293951 0.70 POLB (0.66) TP53KMT2AMEN1PKMPOLB
SCHEMBL18954528 0.69 MAOB (0.41) —
SCHEMBL7371826 0.68 USP14 (0.33) —

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-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2003-05-15 — — 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-20030092912-A1 Heteroaryl fused aminoalkyl-imidazole derivatives: selective modulators of GABAa Receptors GABRA1, GABRB1, GABRA4 TP53 4458/4885KMT2A 1325/4885MEN1 4644/4885

“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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