SCHEMBL13701030

SCHEMBL13701030

CCOC(=O)c1cccc2nc(C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CDC25B P30305 2/20 0.51
KDM4E B2RXH2 7/20 0.51
CYP1A2 P05177 1/20 0.50
PDE4B Q07343 1/20 0.49
POLB P06746 1/20 0.48
CDC25A P30304 1/20 0.48
CDC25C P30307 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL29374765 0.85 TSHR (0.51) TSHRMEN1KMT2ACDC25BKDM4E
SCHEMBL16131036 0.84 KMT2A (0.56) TSHRMEN1KMT2AKDM4EPDE4B
SCHEMBL16278705 0.83 TSHR (0.49) TSHRMEN1KMT2ACDC25BKDM4E
SCHEMBL30617263 0.82 PDE4B (0.48) TSHRMEN1KMT2ACDC25BKDM4E
SCHEMBL31133520 0.82 KDM4E (0.72) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL5810312 0.82 KDM4E (0.72) MEN1KMT2AKDM4ECYP1A2ALDH1A1
SCHEMBL9944370 0.81 MEN1 (0.47) MEN1KMT2AKDM4ECYP1A2POLB
SCHEMBL30048398 0.80 ALDH1A1 (0.51) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL2289118 0.80 ALDH1A1 (0.51) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL14113741 0.79 ALDH1A1 (0.50) MEN1KMT2AKDM4ECYP1A2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A TSHR 1930/4885MEN1 3624/4885KMT2A 1978/4885
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 TSHR 3028/4885MEN1 1907/4885KMT2A 2903/4885

“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.