SCHEMBL7013199

SCHEMBL7013199

CCCN(CO)c1nc(NCc2ccccc2)c2[nH]c(Cl)nc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.39
CDK5 Q00535 1/20 0.39
CSF1R P07333 2/20 0.38
EGFR P00533 1/20 0.38
PDE4D Q08499 3/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
TACR2 P21452 1/20 0.38
CDK2 P24941 3/20 0.37
CCNE2 O96020 2/20 0.37
CCNE1 P24864 2/20 0.37
PPARG P37231 1/20 0.36
PRUNE1 Q86TP1 1/20 0.36
NPY5R Q15761 1/20 0.36
PDE5A O76074 1/20 0.35
PDE6C P51160 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7013189 0.84 CDK1 (0.42) CDK1CDK5PDE4DPDE4APDE4B
SCHEMBL6202760 0.82 CDK1 (0.40) CDK1CDK5CSF1REGFRPDE4D
SCHEMBL7011141 0.76 APP (0.55) CDK1CSF1REGFRPDE4DPDE4A
SCHEMBL6202754 0.74 CDK5 (0.43) CDK1CDK5PDE4DPDE4APDE4B
SCHEMBL7013196 0.73 CDK1 (0.60) CDK1CDK5CDK2CCNE2CCNE1
SCHEMBL7006709 0.72 CDK1 (0.61) CDK1CDK5PDE4DCDK2CCNE2
SCHEMBL3332989 0.71 CDK1 (0.76) CDK1CDK5PDE4DCDK2CCNE2
SCHEMBL6205006 0.71 CDK1 (0.44) CDK1CDK5PDE4DCDK2CCNE2
SCHEMBL14779414 0.70 CSF1R (0.70) CDK1CSF1REGFRPDE4DPDE4A
SCHEMBL6205608 0.69 PARP1 (0.36) PDE4DPDE4APDE4BPDE4CPRUNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191086-A1 Substituted nitrogen heterocyclic derivatives and pharmaceutical use thereof USTAV EXPERIMENTALNI BOTANIKY AV CR 2003-10-09 US disclosed
EP-1147108-B1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF USTAV EX BOTAN AKADEMIE VED CE (CZ) 2003-08-13 EP disclosed
US-6552192-B1 Inhibiting cyclin dependent kinase proteins, viruses, and immunostimulation; antimitotic, antiviral, anticancinogenic, antidegenerative, immunosuppressive USTAU EXPERIMENTALNI BOTANIKY AV-CR (CZ) 2003-04-22 US disclosed
EP-1147108-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF Ustav Experimentalni Botaniky Akademie ved Ceské Republiky (CZ) 2001-10-24 EP disclosed
WO-2000043394-A1 SUBSTITUTED NITROGEN HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL USE THEREOF ÚSTAV EXPERIMENTÁLNÍ BOTANIKY AV CR (CZ) 2000-07-27 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-20030191086-A1 Substituted nitrogen heterocyclic derivatives and pharmaceutical use thereof CDK4, CDK5, CCNI CDK1 6/4885CDK5 2/4885CSF1R 4233/4885

“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.