SCHEMBL17809648

SCHEMBL17809648

COc1cc(-c2cc3c(cc2C#N)N(C)CCC3)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.40
ACVR2A P27037 6/20 0.39
TGFBR2 P37173 5/20 0.39
SSTR2 P30874 1/20 0.39
USP30 Q70CQ3 1/20 0.38
AAK1 Q2M2I8 2/20 0.38
CYP3A4 P08684 1/20 0.38
EED O75530 1/20 0.38
RBBP4 Q09028 1/20 0.38
SUZ12 Q15022 1/20 0.38
EZH2 Q15910 1/20 0.38
AEBP2 Q6ZN18 1/20 0.38
RORC P51449 1/20 0.36
CHRNA7 P36544 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36

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
SCHEMBL17806312 0.86 KDM5A (0.42) KDM5AACVR2ATGFBR2SSTR2USP30
SCHEMBL17809652 0.85 LRRK2 (0.40) AAK1CYP3A4EEDRBBP4SUZ12
SCHEMBL17809653 0.84 USP30 (0.40) USP30HPGD
SCHEMBL17794999 0.83 ROCK2 (0.41) USP30KDM4EALDH1A1GLAGAA
SCHEMBL17809667 0.82 KDM4E (0.41) USP30KDM4EALDH1A1GLAGAA
SCHEMBL17809742 0.81 CREBBP (0.42)
SCHEMBL17809643 0.80 CHRNA7 (0.46) USP30CHRNA7KDM4EALDH1A1GAA
SCHEMBL17794996 0.79 CCR1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17809672 0.76 CYP11B2 (0.45) CYP3A4ALDH1A1HSD17B10
SCHEMBL17809654 0.76 CYP11B2 (0.41) USP30KDM4EALDH1A1GLAGAA

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 KDM5A 965/4885ACVR2A 4075/4885TGFBR2 1587/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM5A 965/4885ACVR2A 4075/4885TGFBR2 1587/4885

“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.