SCHEMBL17809651

SCHEMBL17809651

Cc1ncccc1-c1cc2c(cc1C#N)N(C)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPV1 Q8NER1 5/20 0.38
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
TP53 P04637 1/20 0.34
EED O75530 1/20 0.34

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
SCHEMBL17806375 0.85 EED (0.34) ALDH1A1HPGDPDK1PDK2PDK3
SCHEMBL17794996 0.80 CCR1 (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17809672 0.79 CYP11B2 (0.45) ALDH1A1HSD17B10TSHR
SCHEMBL17809652 0.79 LRRK2 (0.40) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17809654 0.79 CYP11B2 (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17794997 0.79 CYP11B2 (0.39) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17809787 0.79 CYP11B2 (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17795002 0.78 FGFR4 (0.40) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17809667 0.78 KDM4E (0.41) ALDH1A1KDM4EGAAHPGDGLA
SCHEMBL17795000 0.77 TGFBR1 (0.40) ALDH1A1KDM4EGAAHPGDGLA

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
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ALDH1A1 1727/4885KDM4E 465/4885GAA 3371/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ALDH1A1 1727/4885KDM4E 465/4885GAA 3371/4885

“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.