SCHEMBL3969654

SCHEMBL3969654

Cc1c(N)cccc1-c1c[nH]c(=O)c(Nc2ccc(N3CCN(C)CC3)cn2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.50
MAP4K1 Q92918 13/20 0.48
FLT3 P36888 2/20 0.45
CCNT1 O60563 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
CCND3 P30281 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MNAT1 P51948 1/20 0.42
CDK6 Q00534 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42

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
SCHEMBL3968942 0.88 BTK (0.51) BTKMAP4K1FLT3
SCHEMBL3740338 0.85 AURKA (0.37) BTKMAP4K1CDK4
SCHEMBL1321976 0.78 BTK (0.57) BTK
SCHEMBL5124318 0.77 BTK (0.55) BTK
SCHEMBL5127571 0.76 BTK (0.57) BTK
SCHEMBL3750781 0.75 SYK (0.42) BTK
SCHEMBL5126629 0.75 BTK (0.57) BTK
SCHEMBL3740333 0.73 AURKA (0.39) BTKCDK4
SCHEMBL19544729 0.71 BTK (0.59) BTK
SCHEMBL1038372 0.71 FLT3 (0.53) BTKFLT3

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-2081923-B1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT INC (US) 2016-03-16 EP disclosed
EP-2081923-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
US-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. 2008-06-12 US disclosed
WO-2008033854-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF CGI PHARMACEUTICALS, INC. (US) 2008-03-20 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 (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-20080139557-A1 CERTAIN SUBSTITUTED AMIDES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, MYD88 BTK 1/4885MAP4K1 2213/4885FLT3 30/4885

“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.