SCHEMBL16776204

SCHEMBL16776204

CC1=C(C)N=C(NC(=O)N2CCCCNc3ccc(-c4cncc(F)c4)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 8/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ CYP11B2 P19099 3/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ AKT1 P31749 4/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ WNT1 P04628 1/20 0.31
▸ RPS6KA1 Q15418 1/20 0.31
▸ CLK2 P49760 2/20 0.30
▸ CLK3 P49761 2/20 0.30

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
SCHEMBL16776167 0.83 FGFR4 (0.43) DYRK1AGSK3BCYP3A4PORCNABL1
SCHEMBL16776216 0.81 ABL1 (0.34) CYP3A4CYP11B2ABL1AKT1
SCHEMBL16776038 0.81 CNR1 (0.36) ABL1
SCHEMBL16776201 0.81 FGFR4 (0.42) DYRK1AGSK3BCHRNA7KCNH2CYP3A4
SCHEMBL16776141 0.79 FGFR4 (0.46) DYRK1AGSK3BKCNH2CYP3A4PORCN
SCHEMBL16776185 0.79 HTR2C (0.40) DYRK1ACYP3A4CYP11B2ABL1
SCHEMBL16776140 0.79 DYRK1A (0.37) DYRK1AGSK3BCHRNA7KCNH2CYP3A4
SCHEMBL16776138 0.78 PRMT5 (0.33) —
SCHEMBL16776119 0.78 FGFR4 (0.43) DYRK1AGSK3BCYP3A4PORCNCYP11B2
SCHEMBL16776011 0.76 CA9 (0.38) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2623/4885GSK3B 1728/4885CHRNA7 4255/4885

“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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