SCHEMBL17618722

SCHEMBL17618722

Cc1ccncc1-c1ccc2c(n1)N(C(=O)Nc1cnccn1)[C@H]1CCCN2C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.40
▸ ABL1 P00519 6/20 0.40
▸ MAP4K1 Q92918 5/20 0.37
▸ PIM2 Q9P1W9 4/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPA Q5VT25 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35

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
SCHEMBL17618710 0.92 PIM2 (0.40) PIM1ABL1MAP4K1PIM2PIM3
SCHEMBL17618721 0.91 PIM1 (0.40) PIM1ABL1MAP4K1PIM2PIM3
SCHEMBL17618724 0.88 FAAH (0.38) PIM1ABL1MAP4K1PIM2PIM3
SCHEMBL16754411 0.87 GRM5 (0.42) ABL1PIM2KMT2AATMPIM3
SCHEMBL17618726 0.86 ALDH1A1 (0.42) PIM1ABL1PIM2PIM3CYP11B2
SCHEMBL17618720 0.86 ABL1 (0.39) PIM1ABL1MAP4K1PIM2
SCHEMBL17778735 0.86 KDM4E (0.35) ABL1MAP4K1KMT2AATM
SCHEMBL16754537 0.86 KDM4E (0.35) ABL1MAP4K1KMT2AATM
SCHEMBL16754507 0.85 KDM4E (0.35) PIM2KMT2AATM
SCHEMBL17618671 0.85 PIM3 (0.45) PIM1PIM2PIM3ROCK2ROCK1

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 9 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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 (3 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 PIM1 3195/4885ABL1 3987/4885MAP4K1 1876/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIM1 2799/4885ABL1 4089/4885MAP4K1 2341/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM1 2799/4885ABL1 4089/4885MAP4K1 2341/4885

“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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