SCHEMBL17680958

SCHEMBL17680958

Cc1ccnc2cc(C(F)F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.44
▸ CCR5 P51681 2/20 0.44
▸ CCR8 P51685 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ AURKA O14965 1/20 0.38
▸ DAPK3 O43293 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ CSF1R P07333 1/20 0.38
▸ RET P07949 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ LTK P29376 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ MAPK8 P45983 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
SCHEMBL25519630 0.87 AURKA (0.49) CCR1CCR5CCR8SMN1; SMN2AURKA
SCHEMBL6672123 0.81 CCR1 (0.40) CCR1CCR5CCR8SMN1; SMN2AURKA
SCHEMBL19877819 0.80 FERMT2 (0.36) RETNR4A2HTR1AADRA1DADRA1A
SCHEMBL26087032 0.79 OGA (0.42) CCR1NR4A2L3MBTL1KIF11TLR8
SCHEMBL4619603 0.76 FERMT2 (0.49) CCR1CCR5CCR8SMN1; SMN2CDK5
SCHEMBL873159 0.75 HTR1A (0.58) CCR1CCR5CCR8SMN1; SMN2HTR1A
SCHEMBL28191407 0.75 PRNP (0.34) CCR1CCR5CCR8ALDH1A1MAPK1
SCHEMBL30174440 0.73 ADRB2 (0.52) CCR1CCR5CCR8SMN1; SMN2MAP4K4
SCHEMBL22854 0.73 ADRB2 (0.52) CCR1CCR5CCR8SMN1; SMN2MAP4K4
SCHEMBL12702866 0.73 SMN1; SMN2 (0.49) CCR1CCR5CCR8SMN1; SMN2AURKA

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
CN-107531690-A The amines of 4,5,6,7 tetrahydrochysene 1H pyrazolos [4,3 c] pyridine 3 as CBP and/or EP300 inhibitor 基因泰克公司 2018-01-02 — — CN disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
CN-107108512-A Therapeutic compound and application thereof 基因泰克公司 2017-08-29 — — CN 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

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-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 CCR1 616/4885CCR5 1892/4885CCR8 2876/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CCR1 1215/4885CCR5 1891/4885CCR8 3561/4885

“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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