SCHEMBL17618635

SCHEMBL17618635

O=C(Nc1ccncc1)N1c2nc(-c3cccc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GRM5 P41594 7/20 0.40
▸ FAAH O00519 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ CNR2 P34972 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PIM3 Q86V86 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37

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
SCHEMBL17618437 0.95 CNR2 (0.39) CNR1LMNATP53MAPTGRM5
SCHEMBL17618630 0.91 TSHR (0.45) CNR1LMNATP53MAPTGRM5
SCHEMBL19706056 0.90 PIM2 (0.38) LMNATP53MAPTPIM3PIM2
SCHEMBL19699050 0.90 KMT2A (0.41) CNR1MAPTGRM5FAAHKMT2A
SCHEMBL16249947 0.87 IDH2 (0.42) LMNAMAPTKMT2AMEN1
SCHEMBL19365635 0.87 IDH2 (0.42) LMNAMAPTKMT2AMEN1
SCHEMBL17624591 0.87 IDH2 (0.42) LMNAMAPTKMT2AMEN1
SCHEMBL17618645 0.87 GRM5 (0.40) CNR1GRM5PIM3PIM2
SCHEMBL17618614 0.86 CNR2 (0.49) CNR1LMNATP53MAPTGRM5
SCHEMBL17618433 0.85 GRM5 (0.38) CNR1LMNATP53MAPTGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR1 3355/4885LMNA 3671/4885TP53 349/4885

“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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