SCHEMBL2127994

SCHEMBL2127994

CC(CN)c1cccc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
PARP1 P09874 2/20 0.44
DPP4 P27487 1/20 0.40
BRD4 O60885 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
DRD4 P21917 3/20 0.36
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL18713659 0.85 TSHR (0.42) PARP1DPP4BRD4DRD4DRD3
SCHEMBL2611049 0.81 PARP1 (0.46) HTR2CHTR2BPARP1BRD4DRD4
SCHEMBL24351926 0.78 PARP1 (0.44) PARP1BRD4DRD4DRD3DRD2
SCHEMBL7856459 0.78 PARP1 (0.47) PARP1BRD4DRD4DRD3DRD2
SCHEMBL20032408 0.77 PARP1 (0.42) PARP1DPP4BRD4DRD4DRD3
SCHEMBL2127998 0.75 PARP1 (0.41) HTR2APARP1BRD4DRD4DRD3
SCHEMBL2820806 0.75 PARP1 (0.56) PARP1BRD4
SCHEMBL2496022 0.74 PARP1 (0.41) PARP1BRD4DRD4DRD3DRD2
SCHEMBL2497545 0.73 PARP1 (0.50) PARP1BRD4
Hydrochloric Acid SCHEMBL23301891 0.72 PARP1 (0.32) HTR2AHTR2CPARP1BRD4DRD4

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 HTR2A 2328/4885HTR2C 1799/4885HTR2B 2212/4885

“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.