SCHEMBL807868

SCHEMBL807868

Cc1ccncc1-n1ccc2ccc(NC(=O)C3CC3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.45
ABL1 P00519 6/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GBA1 P04062 4/20 0.43
MAP4K1 Q92918 3/20 0.41
EPHX2 P34913 1/20 0.41
MAPT P10636 1/20 0.41
GSK3B P49841 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41

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
SCHEMBL15471706 0.77 CYP19A1 (0.39) MAPT
SCHEMBL794257 0.75 MAPT (0.41) MAPT
SCHEMBL807970 0.74 PDE10A (0.39) ABL1KDM4EKITPDGFRA
SCHEMBL15471704 0.71 KDM4E (0.44) MAPK14ABL1KDM4EMAP4K1MAPT
SCHEMBL793030 0.71 CDC7 (0.39) MEN1POLBKMT2AMAPT
SCHEMBL14146999 0.70 PRMT3 (0.60) ABL1GSK3B
SCHEMBL29856133 0.69 GSK3B (0.68) ABL1KDM4EMAP4K1MAPTGSK3B
SCHEMBL20353540 0.66 PRMT3 (0.61) POLBGSK3B
SCHEMBL14562537 0.66 GSK3B (0.59) ABL1POLBGSK3B
SCHEMBL14562538 0.66 GSK3B (0.59) ABL1POLBGSK3B

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-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 MAPK14 2489/4885ABL1 1220/4885KDM4E 530/4885

“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.