SCHEMBL2127143

SCHEMBL2127143

COCNC(=O)c1cccc2[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.55
▸ PRMT5 O14744 1/20 0.51
▸ HTR3A P46098 2/20 0.46
▸ HTR4 Q13639 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL24754417 0.85 PARP1 (0.59) PARP1PRMT5HTR3AHTR4RXFP1
SCHEMBL1477698 0.83 PARP1 (0.69) PARP1PRMT5HTR3AHTR4RXFP1
SCHEMBL1082188 0.81 EGLN1 (0.63) PARP1PRMT5HTR3AHTR4RXFP1
SCHEMBL536589 0.80 PARP1 (0.64) PARP1
SCHEMBL29698487 0.80 PARP1 (0.64) PARP1PRMT5RXFP1
SCHEMBL26177802 0.79 PARP1 (0.59) PARP1PRMT5RXFP1
SCHEMBL30848472 0.78 PARP1 (0.55) PARP1PRMT5RXFP1
SCHEMBL1382494 0.78 TSHR (0.56) PARP1
SCHEMBL5480367 0.78 PARP1 (0.66) PARP1PRMT5RXFP1
SCHEMBL5823494 0.76 PARP1 (0.59) PARP1PRMT5RXFP1

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
EP-2424843-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES NOVARTIS AG (CH) 2014-03-26 — — EP disclosed
US-8598217-B2 Imidazole derivatives and their use as modulators of cyclin dependent kinases ASTEX THERAPEUTICS LTD. (GB) 2013-12-03 — — US disclosed
US-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES ASTEX THERAPEUTICS LIMITED (GB) 2012-04-26 — — 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-20120101064-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES CDK3, CCNI, CDK1 PARP1 1929/4885PRMT5 692/4885HTR3A 485/4885

“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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