SCHEMBL8736883

SCHEMBL8736883

Cc1cccc(C(O)c2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP17A1 P05093 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPKAPK2 P49137 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
NT5E P21589 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
ACP3 P15309 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
BRD4 O60885 1/20 0.40
KDM5A P29375 1/20 0.40
ACHE P22303 1/20 0.39
KCNK3 O14649 1/20 0.39

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
SCHEMBL822105 0.86 ACHE (0.52) IDO1TDO2ACP3KDM5AACHE
SCHEMBL4676563 0.85 MAPKAPK2 (0.47) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL30502803 0.84 ACP3 (0.55) SMN1; SMN2ACP3SLC6A2SLC6A4ACHE
SCHEMBL477409 0.84 ACP3 (0.55) SMN1; SMN2ACP3SLC6A2SLC6A4ACHE
SCHEMBL3859898 0.84 ACP3 (0.55) SMN1; SMN2ACP3SLC6A2SLC6A4ACHE
SCHEMBL822299 0.82 ACP3 (0.44) KMT2AIDO1TDO2ACP3BRD4
SCHEMBL12792239 0.80 ACHE (0.52) IDO1TDO2ACP3SLC6A2SLC6A4
SCHEMBL11409330 0.79 ACHE (0.48) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL17064649 0.79 CA1 (0.51) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4
SCHEMBL8737044 0.78 CYP19A1 (0.59) CYP19A1CYP11B1CYP11B2CYP17A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 US disclosed
US-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2007-10-18 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 (2 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-20070244120-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BRAF, RAF1, ARAF CYP19A1 4134/4885CYP11B1 4144/4885CYP11B2 4342/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF CYP19A1 4134/4885CYP11B1 4144/4885CYP11B2 4342/4885

“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.