SCHEMBL19365348

SCHEMBL19365348

N=Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCCN3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM2 Q9P1W9 3/20 0.34
▸ ABL1 P00519 10/20 0.33
▸ CLK2 P49760 2/20 0.33
▸ CLK3 P49761 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ BTK Q06187 1/20 0.33
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PORCN Q9H237 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32
▸ CDC42BPB Q9Y5S2 1/20 0.32

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
SCHEMBL17618636 0.89 SCN10A (0.39) ABL1CLK2CLK3DYRK1ABTK
SCHEMBL17618718 0.89 PRMT5 (0.36) PIM2CLK2CLK3DYRK1ABTK
SCHEMBL17618674 0.88 PIM2 (0.43) PIM2ABL1HTR2AHTR2CHTR2B
SCHEMBL19365349 0.87 CDK9 (0.35) PIM2ABL1CLK2CLK3DYRK1A
SCHEMBL17618740 0.87 ABL1 (0.38) ABL1CLK2CLK3DYRK1ADGAT2
SCHEMBL17618608 0.86 SCN10A (0.38) PIM2CLK2CLK3DYRK1ABTK
SCHEMBL17618691 0.85 ABL1 (0.38) PIM2ABL1DYRK1A
SCHEMBL16249970 0.84 IDH2 (0.40) HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL17618378 0.84 IDH2 (0.40) HTR2AHTR2CCYP3A4CYP2D6
SCHEMBL19865028 0.84 IDH2 (0.40) HTR2AHTR2CCYP3A4CYP2D6

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 4 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-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

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 3242/4885ABL1 4089/4885CLK2 712/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PIM2 3242/4885ABL1 4089/4885CLK2 712/4885

“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.

Send feedback