SCHEMBL17795000

SCHEMBL17795000

Cc1cccc(-c2cc3c(cc2C#N)N(C)CCC3)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.40
LRRK2 Q5S007 4/20 0.39
ALDH1A1 P00352 7/20 0.39
HPGD P15428 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
CASP1 P29466 2/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
CLK1 P49759 1/20 0.36
CCR1 P32246 1/20 0.36
CCR8 P51685 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL17806315 0.85 TGFBR1 (0.38) TGFBR1LRRK2ALDH1A1HPGDGAA
SCHEMBL17794996 0.81 CCR1 (0.41) LRRK2ALDH1A1HPGDKDM4EGAA
SCHEMBL17795005 0.80 KDM4E (0.39) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17809651 0.77 ALDH1A1 (0.38) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17809652 0.77 LRRK2 (0.40) LRRK2ALDH1A1HPGDKDM4EGAA
SCHEMBL17809605 0.77 GSK3B (0.39) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17809654 0.77 CYP11B2 (0.41) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17809667 0.76 KDM4E (0.41) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17794997 0.75 CYP11B2 (0.39) ALDH1A1HPGDKDM4EGAACASP1
SCHEMBL17809672 0.75 CYP11B2 (0.45) ALDH1A1HSD17B10TSHR

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 6 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
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 WO disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 US disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 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 (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 TGFBR1 1202/4885LRRK2 1250/4885ALDH1A1 1727/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 TGFBR1 1202/4885LRRK2 1250/4885ALDH1A1 1727/4885

“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.