SCHEMBL19689679

SCHEMBL19689679

Cc1cc(-c2cc(C)c3c(n2)N(C(=O)Nc2cc(Br)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ USP30 Q70CQ3 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ CCNT1 O60563 7/20 0.34
▸ CCNA2 P20248 7/20 0.34
▸ CDK2 P24941 7/20 0.34
▸ CDK9 P50750 7/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ PRKD1 Q15139 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
SCHEMBL17768178 0.87 ABL1 (0.37) ABL1NTRK1USP30MAPK1IRAK4
SCHEMBL17767957 0.87 ABL1 (0.37) ABL1NTRK1USP30MAPK1IRAK4
SCHEMBL17768095 0.87 ABL1 (0.37) ABL1NTRK1USP30MAPK1IRAK4
SCHEMBL19689790 0.87 DYRK1A (0.42) ABL1IRAK4
SCHEMBL19689684 0.86 IRAK4 (0.36) ABL1USP30MAPK1IRAK4
SCHEMBL17778649 0.83 GRM5 (0.41) ABL1GRM5
SCHEMBL19689690 0.83 GRM5 (0.41) ABL1GRM5
SCHEMBL16776487 0.80 GSK3B (0.41) ABL1GRM5
SCHEMBL17778627 0.79 GRM5 (0.43) ABL1GRM5
SCHEMBL17769501 0.79 GRM5 (0.43) ABL1GRM5

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-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

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 3898/4885GRM5 3937/4885NTRK1 4744/4885

“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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