SCHEMBL17768095

SCHEMBL17768095

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(Br)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.37
▸ NTRK1 P04629 1/20 0.35
▸ MAPK1 P28482 5/20 0.35
▸ USP30 Q70CQ3 4/20 0.35
▸ WNT3A P56704 3/20 0.35
▸ MTOR P42345 1/20 0.35
▸ GSK3B P49841 3/20 0.34
▸ JAK3 P52333 1/20 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
SCHEMBL17768178 1.00 ABL1 (0.37) ABL1NTRK1MAPK1USP30WNT3A
SCHEMBL17767957 1.00 ABL1 (0.37) ABL1NTRK1MAPK1USP30WNT3A
SCHEMBL16754282 0.91 KARS1 (0.40) ABL1MAPK1WNT3AMTORGSK3B
SCHEMBL17778323 0.91 KARS1 (0.40) ABL1MAPK1WNT3AMTORGSK3B
SCHEMBL17778911 0.89 ABL1 (0.36) ABL1MAPK1USP30WNT3AMTOR
SCHEMBL19689785 0.89 ABL1 (0.36) ABL1MAPK1USP30WNT3AMTOR
SCHEMBL17618509 0.89 WNT3A (0.41) ABL1WNT3AGSK3B
SCHEMBL19689811 0.88 DYRK1A (0.42) ABL1MAPK1USP30WNT3AMTOR
SCHEMBL17778888 0.88 PIM1 (0.38) ABL1MAPK1WNT3AMTOR
SCHEMBL17778803 0.88 DYRK1A (0.42) ABL1MAPK1USP30WNT3AMTOR

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 6 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
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 ABL1 3898/4885NTRK1 4744/4885MAPK1 1307/4885

“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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