SCHEMBL17809654

SCHEMBL17809654

Cc1ccc(-c2cc3c(cc2C#N)N(C)CCC3)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.41
CYP11B1 P15538 2/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP30 Q70CQ3 2/20 0.38
GPR119 Q8TDV5 1/20 0.38
KDM1A O60341 1/20 0.36
RET P07949 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
WDR5 P61964 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 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
SCHEMBL17809673 0.88 CYP11B2 (0.41) CYP11B2CYP11B1ALDH1A1GAAHPGD
SCHEMBL17809653 0.85 USP30 (0.40) CYP11B2HPGDUSP30KDM1ARET
SCHEMBL17809792 0.85 CYP11B2 (0.39) CYP11B2CYP11B1ALDH1A1GAAHPGD
SCHEMBL17806288 0.85 GPR119 (0.40) CYP11B2CYP11B1ALDH1A1HPGDKDM4E
SCHEMBL17809669 0.84 RET (0.40) CYP11B2CYP11B1ALDH1A1GAAHPGD
SCHEMBL17809672 0.83 CYP11B2 (0.45) CYP11B2CYP11B1ALDH1A1HSD17B10XDH
SCHEMBL17809652 0.83 LRRK2 (0.40) CYP11B2CYP11B1ALDH1A1GAAHPGD
SCHEMBL17809677 0.82 CYP11B2 (0.41) CYP11B2HPGDCASP1HSD17B10
SCHEMBL17809596 0.82 CREBBP (0.43) CYP11B2USP30KDM1AMAPT
SCHEMBL17809667 0.80 KDM4E (0.41) CYP11B2CYP11B1ALDH1A1GAAHPGD

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 CYP11B2 1605/4885CYP11B1 1468/4885ALDH1A1 1727/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CYP11B2 1605/4885CYP11B1 1468/4885ALDH1A1 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.