SCHEMBL4819595

SCHEMBL4819595

COCCNc1cc(Cl)nc(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.47
ROCK2 O75116 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
CDK2 P24941 1/20 0.47
GSK3B P49841 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
ESR1 P03372 1/20 0.43
CYP2C19 P33261 3/20 0.42
CYP2D6 P10635 1/20 0.42
HRH4 Q9H3N8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HCAR3 P49019 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL10692899 0.90 ESR1 (0.41) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL25166042 0.85 NCF1 (0.46) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL30329809 0.85 NCF1 (0.46) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL29750608 0.83 CYP2D6 (0.64) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL26965066 0.83 CYP2D6 (0.64) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL13116015 0.83 CDC7 (0.47) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL15719830 0.80 ESR1 (0.47) ESR1CYP2C19CYP2D6HRH4SMN1; SMN2
SCHEMBL3712550 0.79 HCAR3 (0.42) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL11794773 0.77 ALDH1A1 (0.55) CDC7ROCK2PIM1PRKACACDK2
SCHEMBL11615087 0.77 MEN1 (0.47) CDC7ROCK2PIM1PRKACACDK2

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
WO-2023204642-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2023-10-26 WO disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-7335672-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-26 US disclosed
US-20060058308-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2006-03-16 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-20060058308-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 CDC7 2800/4885ROCK2 1777/4885PIM1 4124/4885

“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.