SCHEMBL17809652

SCHEMBL17809652

Cc1cc(-c2cc3c(cc2C#N)N(C)CCC3)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.40
WNT3A P56704 4/20 0.38
ALDH1A1 P00352 2/20 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
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 1/20 0.37
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
GRM2 Q14416 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
SCHEMBL17794999 0.86 ROCK2 (0.41) LRRK2ALDH1A1GAAHPGDKDM4E
SCHEMBL17809648 0.85 KDM5A (0.40) LRRK2ALDH1A1GAAHPGDKDM4E
SCHEMBL17806346 0.85 WNT3A (0.39) LRRK2WNT3ACYP11B2CYP11B1EED
SCHEMBL17809667 0.85 KDM4E (0.41) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL17809654 0.83 CYP11B2 (0.41) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL17794996 0.82 CCR1 (0.41) LRRK2ALDH1A1GAAHPGDKDM4E
SCHEMBL17809762 0.80 CREBBP (0.43)
SCHEMBL17809672 0.79 CYP11B2 (0.45) ALDH1A1HSD17B10CYP11B2CYP11B1CYP3A4
SCHEMBL17809651 0.79 ALDH1A1 (0.38) ALDH1A1GAAHPGDKDM4EGLA
SCHEMBL17809673 0.79 CYP11B2 (0.41) ALDH1A1GAAHPGDKDM4EGLA

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 LRRK2 1250/4885WNT3A 3367/4885ALDH1A1 1727/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885WNT3A 3367/4885ALDH1A1 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.