SCHEMBL17809683

SCHEMBL17809683

Cc1ccc(C)c(-c2cnn(C)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.54
BTK Q06187 1/20 0.47
PIM1 P11309 1/20 0.44
BRD4 O60885 2/20 0.44
RIPK2 O43353 1/20 0.43
ESRRA P11474 1/20 0.43
TNF P01375 1/20 0.42
ACLY P53396 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
PIK3CG P48736 4/20 0.41
PIK3CD O00329 3/20 0.41
PIK3CB P42338 3/20 0.41
MTOR P42345 2/20 0.41
CREBBP Q92793 2/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL11962892 0.86 LRRK2 (0.54) LRRK2BTKPIM1BRD4TNF
SCHEMBL27316556 0.86 LRRK2 (0.47) LRRK2BTKBRD4RIPK2SMARCA2
SCHEMBL17795495 0.83 LRRK2 (0.44) LRRK2BTKBRD4RIPK2SMARCA2
SCHEMBL17785770 0.83 AXL (0.51) LRRK2BTKBRD4RIPK2SMARCA2
SCHEMBL13036089 0.83 PIM1 (0.57) LRRK2BTKPIM1BRD4ACLY
SCHEMBL10094634 0.83 LRRK2 (0.48) LRRK2BTKBRD4RIPK2PIK3CG
SCHEMBL24731507 0.81 LMNA (0.50) LRRK2BTKBRD4RIPK2SMARCA2
SCHEMBL17806497 0.80 PIK3CG (0.43) LRRK2BTKBRD4RIPK2SMARCA2
SCHEMBL20961827 0.79 LRRK2 (0.46) LRRK2PIM1BRD4RIPK2ACLY
SCHEMBL17795258 0.79 LRRK2 (0.51) LRRK2BTKPIM1BRD4SMARCA2

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 1250/4885BTK 605/4885PIM1 2411/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 LRRK2 1250/4885BTK 605/4885PIM1 2411/4885

“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.