SCHEMBL17809694

SCHEMBL17809694

Cc1ccc(-c2cnn(CC(F)(F)F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.45
KCNH2 Q12809 11/20 0.44
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
FADS1 O60427 1/20 0.42
KDR P35968 1/20 0.41
EPHB4 P54760 1/20 0.41
TEK Q02763 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TTK P33981 1/20 0.39
GRIN2B Q13224 2/20 0.39
HDAC4 P56524 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
SCHEMBL19368884 0.84 KCNH2 (0.42) LRRK2KCNH2BRD4CREBBPEPHB4
SCHEMBL25315734 0.83 KCNH2 (0.50) LRRK2KCNH2BRD4CREBBPL3MBTL1
SCHEMBL17806566 0.83 EP300 (0.41) LRRK2KCNH2BRD4CREBBPL3MBTL1
SCHEMBL15782893 0.82 FFAR1 (0.51) LRRK2TTK
SCHEMBL17809809 0.79 LRRK2 (0.64) LRRK2KCNH2CREBBPKDREPHB4
SCHEMBL19537429 0.79 KDM5A (0.46) LRRK2KCNH2FADS1TTK
SCHEMBL11918420 0.78 AR (0.38) LRRK2FADS1HDAC4
SCHEMBL18985800 0.76 MEN1 (0.42) LRRK2KCNH2BRD4CREBBPTTK
SCHEMBL25322449 0.76 FFAR1 (0.53) LRRK2KCNH2BRD4CREBBP
SCHEMBL13036117 0.76 PIK3CD (0.51) LRRK2KCNH2KDREPHB4TEK

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 1250/4885KCNH2 2291/4885BRD4 11/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885KCNH2 2291/4885BRD4 11/4885

“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.