SCHEMBL17673285

SCHEMBL17673285

Cc1ccnc2cc(C(F)(F)C(=O)c3ccccc3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GSK3A P49840 3/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ PRKD2 Q9BZL6 2/20 0.38
▸ MARK3 P27448 1/20 0.38
▸ MAPKAPK2 P49137 1/20 0.38
▸ PRKCZ Q05513 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PAK1 Q13153 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ HIPK4 Q8NE63 1/20 0.38

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
SCHEMBL16158204 0.78 PABPC1 (0.46) CES1ALDH1A1SMN1; SMN2CNR2
SCHEMBL16148241 0.76 PABPC1 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL22854 0.75 ADRB2 (0.52) PTGDR2SMN1; SMN2GSK3AGSK3BCLK4
SCHEMBL30174440 0.75 ADRB2 (0.52) PTGDR2SMN1; SMN2GSK3AGSK3BCLK4
Trifluoroacetic Acid SCHEMBL28101328 0.73 SMN1; SMN2 (0.44) ALDH1A1PTGDR2SMN1; SMN2CNR2
SCHEMBL6999877 0.72 TDP1 (0.50) ALDH1A1SMN1; SMN2DYRK1A
SCHEMBL16158200 0.72 CES1 (0.53) CES1ALDH1A1SMN1; SMN2
SCHEMBL28191409 0.71 CCNC (0.37) ALDH1A1PTGDR2SMN1; SMN2GSK3AGSK3B
SCHEMBL18644434 0.71 CES1 (0.44) CES1ALDH1A1SMN1; SMN2
SCHEMBL16147513 0.69 PTPN1 (0.53) CES1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 — — CN disclosed
CN-107531690-B 4,5,6, 7-tetrahydro-1H-pyrazolo [4,3-c ] pyridin-3-amine compounds as CBP and/or EP300 inhibitors 基因泰克公司 2020-11-06 — — CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 — — EP disclosed
EP-3632915-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2020-04-08 — — EP disclosed
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
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-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 — — US disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
EP-3204360-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-08-16 — — EP 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
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
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — US disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 — — WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 — — WO disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — WO disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 — — WO 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 (3 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 CES1 831/4885ALDH1A1 1727/4885PTGDR2 1392/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CES1 831/4885ALDH1A1 1727/4885PTGDR2 1392/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CES1 1003/4885ALDH1A1 1533/4885PTGDR2 1752/4885

“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.

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