SCHEMBL19365550

SCHEMBL19365550

NCc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 11/20 0.37
▸ PIM3 Q86V86 7/20 0.37
▸ FAAH O00519 3/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ PIM1 P11309 4/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ ATR Q13535 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ CYP11B2 P19099 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
SCHEMBL19365639 0.91 PIM2 (0.38) PIM2PIM3FAAHPIM1ATR
SCHEMBL17618730 0.88 LRRK2 (0.36) PIM2PIM3FAAHPIM1RPS6KB1
SCHEMBL19365551 0.87 PIM2 (0.34) PIM2PIM3FAAHROCK2ROCK1
SCHEMBL17618675 0.86 PIM3 (0.46) PIM2PIM3FAAHROCK2ROCK1
SCHEMBL17618755 0.86 GSK3B (0.38) PIM2PIM3ROCK2ROCK1CYP11B2
SCHEMBL17618619 0.86 PIM2 (0.37) PIM2PIM3PIM1
SCHEMBL17618610 0.85 PIK3C3 (0.38) PIM2PIM3FAAHPIM1ATR
SCHEMBL19365349 0.84 CDK9 (0.35) PIM2PIM3
SCHEMBL17618526 0.83 FAAH (0.35) FAAHRPS6KB1ATR
SCHEMBL17618692 0.83 PIM2 (0.36) PIM2PIM3FAAHROCK2ROCK1

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 PIM2 3242/4885PIM3 3489/4885FAAH 977/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885PIM3 3489/4885FAAH 977/4885

“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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