SCHEMBL17809653

SCHEMBL17809653

COc1ccc(-c2cc3c(cc2C#N)N(C)CCC3)cn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
RET P07949 7/20 0.40
KCNH2 Q12809 2/20 0.39
CYP11B2 P19099 1/20 0.39
SCN9A Q15858 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM1A O60341 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
TNF P01375 2/20 0.38
HPGD P15428 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL17806345 0.86 KCNH2 (0.40) USP30RETKCNH2CYP11B2HCRTR1
SCHEMBL17809673 0.85 CYP11B2 (0.41) USP30RETCYP11B2HPGD
SCHEMBL17809654 0.85 CYP11B2 (0.41) USP30RETCYP11B2KDM1AHPGD
SCHEMBL17809648 0.84 KDM5A (0.40) USP30HPGD
SCHEMBL17809792 0.82 CYP11B2 (0.39) USP30CYP11B2HPGD
SCHEMBL17809669 0.81 RET (0.40) USP30RETCYP11B2KDM1AHPGD
SCHEMBL17809552 0.80 USP30 (0.47) USP30CYP11B2TNFHPGDPIK3CA
SCHEMBL17809677 0.79 CYP11B2 (0.41) CYP11B2HPGD
SCHEMBL17809596 0.79 CREBBP (0.43) USP30CYP11B2KDM1APIK3CA
SCHEMBL17809672 0.78 CYP11B2 (0.45) CYP11B2

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 USP30 2156/4885RET 855/4885KCNH2 2291/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 USP30 2156/4885RET 855/4885KCNH2 2291/4885

“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.