SCHEMBL19706056

SCHEMBL19706056

O=C(Nc1ccncc1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 4/20 0.38
▸ PIM3 Q86V86 3/20 0.38
▸ DGAT2 Q96PD7 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ PIM1 P11309 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ EIF2AK4 Q9P2K8 1/20 0.34
▸ CLK2 P49760 2/20 0.33
▸ CLK3 P49761 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ ATR Q13535 2/20 0.33
▸ KIT P10721 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL19706085 0.91 HTR2A (0.42) PIM2PIM3PIM1LMNAMAPT
SCHEMBL17618635 0.90 CNR1 (0.42) PIM2PIM3LMNATP53MAPT
SCHEMBL19699060 0.88 ABL1 (0.38) ABL1LMNATP53MAPTPDE4A
SCHEMBL17618642 0.87 DGAT2 (0.36) PIM2PIM3DGAT2PIM1MAPT
SCHEMBL17618633 0.87 GRM5 (0.39) PIM2PIM3DGAT2PIM1MAPT
SCHEMBL17618729 0.85 HTR2A (0.44) LMNA
SCHEMBL17618628 0.85 CYP3A4 (0.37) DGAT2ABL1DYRK1A
SCHEMBL17618437 0.84 CNR2 (0.39) LMNATP53MAPTPDE4APDE4B
SCHEMBL17618627 0.84 CRHR1 (0.35) DGAT2TRPV1IRAK4
SCHEMBL17618526 0.83 FAAH (0.35) ABL1MAPTATRIRAK4

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 PIM2 3242/4885PIM3 3489/4885DGAT2 1047/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885DGAT2 1047/4885

“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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