SCHEMBL19364864

SCHEMBL19364864

Nc1ccc(-c2cccnc2)nc1N(C(=O)Nc1cnccn1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC2 Q92769 7/20 0.44
▸ HDAC1 Q13547 7/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ ABL1 P00519 3/20 0.40
▸ ATR Q13535 2/20 0.40
▸ PDGFRB P09619 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ GBA1 P04062 4/20 0.39
▸ CYP3A4 P08684 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 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
SCHEMBL19365441 0.93 ATR (0.48) HDAC2HDAC1HDAC3ABL1ATR
SCHEMBL19365606 0.89 ATR (0.48) HDAC2HDAC1HDAC3ABL1ATR
SCHEMBL19670630 0.88 HDAC1 (0.40) HDAC2HDAC1HDAC3ABL1GSK3B
SCHEMBL19365567 0.88 HDAC1 (0.43) HDAC2HDAC1HDAC3ABL1ATR
SCHEMBL19365604 0.87 HDAC1 (0.46) HDAC2HDAC1HDAC3ABL1ATR
SCHEMBL19706219 0.87 HDAC3 (0.38) HDAC2HDAC1HDAC3ABL1SIRT2
SCHEMBL19670340 0.87 HDAC2 (0.38) HDAC2HDAC1HDAC3ABL1CYP3A4
SCHEMBL19365297 0.87 HDAC2 (0.41) HDAC2HDAC1HDAC3ATRSIRT2
SCHEMBL19365461 0.87 HDAC1 (0.39) HDAC2HDAC1HDAC3PIM3GSK3B
SCHEMBL19670617 0.85 MAPK1 (0.42) HDAC2HDAC1HDAC3ABL1GSK3B

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 3 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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 HDAC2 50/4885HDAC1 71/4885HDAC3 70/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HDAC2 50/4885HDAC1 71/4885HDAC3 70/4885

“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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