SCHEMBL19706240

SCHEMBL19706240

NCc1cncc(-c2ccc(N)c(N(C(=O)Nc3ccccn3)C3CCCCC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.40
▸ DYRK1A Q13627 2/20 0.40
▸ ATR Q13535 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ GRM5 P41594 6/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL19670409 0.88 PRMT5 (0.42) ATRLMNAGRM5MEN1KMT2A
SCHEMBL19364834 0.88 ALDH1A1 (0.39) DYRK1AATRALDH1A1HDAC2NPC1
SCHEMBL19365309 0.88 CNR2 (0.40) ATRLMNAGRM5ALDH1A1HDAC3
SCHEMBL19365441 0.87 ATR (0.48) ATRLMNASMN1; SMN2KMT2AHDAC3
SCHEMBL19365471 0.87 ATR (0.36) DYRK1AATRLMNAGRM5ALDH1A1
SCHEMBL19365583 0.86 ABL1 (0.38) DYRK1AATRGRM5ALDH1A1HDAC2
SCHEMBL19670535 0.86 GSK3B (0.38) DYRK1AATRLMNAGRM5ALDH1A1
SCHEMBL19365794 0.85 ATR (0.38) ATRGRM5KMT2AALDH1A1NPC1
SCHEMBL19364825 0.85 ATR (0.42) ATRGRM5ALDH1A1HDAC3HDAC1
SCHEMBL19365302 0.84 GSK3B (0.39) DYRK1AATRGRM5HDAC2

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT1 3363/4885DYRK1A 2623/4885ATR 1867/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 WNT1 3363/4885DYRK1A 2623/4885ATR 1867/4885

“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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