SCHEMBL19658786

SCHEMBL19658786

CC(=O)N(C)C1CCN(c2cc(C(F)(F)F)ncn2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 2/20 0.51
CECR2 Q9BXF3 2/20 0.51
BRD9 Q9H8M2 2/20 0.51
MAP4K4 O95819 1/20 0.45
LCAT P04180 2/20 0.44
ACACB O00763 1/20 0.44
PARP1 P09874 1/20 0.42
ITGB2 P05107 3/20 0.42
ICAM1 P05362 3/20 0.42
ITGAL P20701 3/20 0.42
OPRD1 P41143 1/20 0.40
CCR2 P41597 2/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KCNH2 Q12809 1/20 0.39
JAK3 P52333 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
USP30 Q70CQ3 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL19652260 0.87 TAF1 (0.51) TAF1CECR2BRD9LCATACACB
SCHEMBL19658407 0.80 CYP2C19 (0.52) TAF1CECR2BRD9MAP4K4ACACB
SCHEMBL19658497 0.80 MAP4K4 (0.45) TAF1CECR2BRD9MAP4K4ACACB
SCHEMBL16648636 0.79 ITGB2 (0.47) LCATACACBPARP1ITGB2ICAM1
SCHEMBL19658489 0.78 MAP4K4 (0.43) TAF1CECR2BRD9MAP4K4ACACB
SCHEMBL19658510 0.76 OPRD1 (0.47) TAF1CECR2BRD9MAP4K4ITGB2
SCHEMBL19658782 0.76 TAF1 (0.54) TAF1CECR2BRD9MAP4K4ITGB2
SCHEMBL2277568 0.76 LCAT (0.45) TAF1CECR2BRD9LCATACACB
SCHEMBL19658736 0.75 GPR119 (0.52) TAF1CECR2BRD9MAP4K4PARP1
SCHEMBL18544729 0.75 MAP4K4 (0.50) MAP4K4LCATPARP1CCR2HRH3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (1 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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 TAF1 439/4885CECR2 184/4885BRD9 16/4885

“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.