SCHEMBL1363879

SCHEMBL1363879

CCOc1cccc(C2=CCN=CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
BRD2 P25440 1/20 0.48
CREBBP Q92793 1/20 0.48
NOTUM Q6P988 1/20 0.45
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL15842074 0.85 DYRK1A (0.46) BRD4NOTUMMAPTKDM4EGAA
SCHEMBL1363878 0.83 MAOB (0.46) MAPK1SMN1; SMN2TSHRHPGD
SCHEMBL1366435 0.81 RXRA (0.43) MAPTKDM4EGAARXRARXRB
SCHEMBL3541066 0.78 MAPT (0.45) BRD4BRD2CREBBPNOTUMMAPT
SCHEMBL29426410 0.75 RXRA (0.66) BRD4BRD2CREBBPNOTUMMAPT
SCHEMBL9260410 0.75 RXRA (0.66) BRD4BRD2CREBBPNOTUMMAPT
SCHEMBL6618791 0.73 HSD17B1 (0.44) ALDH1A1HSD17B10CYP3A4CYP1A2CYP2D6
SCHEMBL29012837 0.73 RXRA (0.64) BRD4BRD2CREBBPNOTUMMAPT
SCHEMBL15842336 0.73 PTPN5 (0.40) BRD4BRD2CREBBPMAPTKDM4E
SCHEMBL28215794 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE HOLDINGS CORPORATION (US) 2019-03-12 US disclosed
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION 2018-06-07 US disclosed
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases INCYTE CORPORATION (US) 2014-07-03 US disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
US-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION 2011-11-24 US disclosed
US-8039471-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES INCYTE CORPORATION (US) 2009-05-14 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 (5 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-20110288068-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 BRD4 2190/4885BRD2 1940/4885CREBBP 2930/4885
US-10226459-B2 Aza spiro alkane derivatives as inhibitors of metalloproteases MMP9, MMP3, MMP12 BRD4 2190/4885BRD2 1940/4885CREBBP 2930/4885
US-20090124649-A1 AZA SPIRO ALKANE DERIVATIVES AS INHIBITORS OF METALLOPROTEASES MMP9, MMP3, MMP12 BRD4 2190/4885BRD2 1940/4885CREBBP 2930/4885
US-20140187530-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 BRD4 2190/4885BRD2 1940/4885CREBBP 2930/4885
US-20180153882-A1 AZA Spiro Alkane Derivatives as Inhibitors of Metalloproteases MMP9, MMP3, MMP12 BRD4 2190/4885BRD2 1940/4885CREBBP 2930/4885

“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.