SCHEMBL17809802

SCHEMBL17809802

Cc1c(-c2cc3c(cc2C#N)N(C)CCC3)cnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP11B2 P19099 5/20 0.41
▸ GAA P10253 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP11B1 P15538 3/20 0.39
▸ PIK3CD O00329 1/20 0.38
▸ PDE2A O00408 3/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 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
SCHEMBL17806303 0.86 KDM4E (0.40) ALDH1A1HPGDKDM4ECYP1A2CYP2C19
SCHEMBL17809750 0.79 CREBBP (0.44) BRD4CREBBP
SCHEMBL17809629 0.79 USP30 (0.53) ALDH1A1HPGDKDM4EGAAGLA
SCHEMBL17794997 0.78 CYP11B2 (0.39) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17809787 0.78 CYP11B2 (0.41) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17795002 0.78 FGFR4 (0.40) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17809650 0.77 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17809647 0.77 CYP11B2 (0.40) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17795005 0.76 KDM4E (0.39) ALDH1A1HPGDKDM4ECYP11B2GAA
SCHEMBL17809654 0.76 CYP11B2 (0.41) ALDH1A1HPGDKDM4ECYP11B2GAA

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 5 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

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 ALDH1A1 1727/4885HPGD 1938/4885KDM4E 465/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 ALDH1A1 1727/4885HPGD 1938/4885KDM4E 465/4885

“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.

Send feedback