SCHEMBL17778670

SCHEMBL17778670

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnn(CC(F)(F)F)c4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ TBK1 Q9UHD2 3/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ GSK3B P49841 5/20 0.34
▸ WNT1 P04628 4/20 0.34
▸ DYRK1A Q13627 4/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ HPGDS O60760 1/20 0.34

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
SCHEMBL17778672 0.92 DYRK1A (0.40) MAPK1CLK2LRRK2TBK1KDM5A
SCHEMBL17778914 0.89 DYRK1A (0.43) CLK2ABL1GSK3BWNT1DYRK1A
SCHEMBL17778323 0.84 KARS1 (0.40) MAPK1ABL1GSK3BWNT3A
SCHEMBL16754282 0.84 KARS1 (0.40) MAPK1ABL1GSK3BWNT3A
SCHEMBL17778806 0.84 MEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17778897 0.83 WNT3A (0.42) MAPK1ABL1GSK3BWNT1DYRK1A
SCHEMBL17768095 0.82 ABL1 (0.37) MAPK1ABL1GSK3BWNT3A
SCHEMBL17767957 0.82 ABL1 (0.37) MAPK1ABL1GSK3BWNT3A
SCHEMBL17778385 0.82 WNT3A (0.40) ABL1WNT3A
SCHEMBL17768178 0.82 ABL1 (0.37) MAPK1ABL1GSK3BWNT3A

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPK1 1307/4885CLK2 806/4885SCN5A 2957/4885

“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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