SCHEMBL16776038

SCHEMBL16776038

CC1=C(C)N=C(NC(=O)N2CCCCNc3ccc(-c4cccc(N(C)C)c4)nc32)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.36
▸ ABL1 P00519 3/20 0.34
▸ BCR P11274 3/20 0.34
▸ MAP4K1 Q92918 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FYN P06241 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B14 Q9BPX1 1/20 0.31
▸ RPS6KA2 Q15349 1/20 0.31
▸ TERT O14746 2/20 0.31
▸ DCTPP1 Q9H773 1/20 0.30
▸ TRPV1 Q8NER1 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CHRM3 P20309 1/20 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
SCHEMBL16776033 0.83 FGFR4 (0.42) CNR1ABL1BCRMAP4K1SMN1; SMN2
SCHEMBL16776216 0.82 ABL1 (0.34) ABL1MAP4K1
SCHEMBL16776122 0.82 TP53 (0.36) CNR1ABL1BCRMAP4K1SMN1; SMN2
SCHEMBL16776204 0.81 DYRK1A (0.34) ABL1
SCHEMBL16776040 0.80 FGFR4 (0.41) CNR1ABL1BCRFYNHSD17B14
SCHEMBL16776144 0.75 KMT2A (0.44) CNR1SMN1; SMN2MEN1RAB9AKMT2A
SCHEMBL16775960 0.74 DYRK1A (0.36) FYN
SCHEMBL16776146 0.73 HTR2C (0.48) ABL1BCRALDH1A1
SCHEMBL16776157 0.71 ROCK2 (0.36) ABL1BCRRPS6KA2TRPV1
SCHEMBL16776392 0.71 SLC5A1 (0.34) —

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 CNR1 2946/4885ABL1 4089/4885BCR 3239/4885

“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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