SCHEMBL17767975

SCHEMBL17767975

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(Br)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 6/20 0.35
▸ GRM5 P41594 2/20 0.34
▸ LIMK2 P53671 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ USP30 Q70CQ3 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ KIT P10721 2/20 0.32
▸ JAK3 P52333 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
SCHEMBL16754293 0.92 PRMT5 (0.38) WNT3AGRM5ABL1USP30HRH3
SCHEMBL17770596 0.92 PRMT5 (0.38) WNT3AGRM5ABL1USP30HRH3
SCHEMBL17618520 0.90 USP30 (0.37) WNT3AGRM5ABL1USP30PSEN1
SCHEMBL16754500 0.90 IRAK4 (0.37) WNT3AGRM5ABL1USP30HRH3
SCHEMBL19689778 0.89 HTR2C (0.41) WNT3A
SCHEMBL17618706 0.89 HTR2C (0.41) WNT3A
SCHEMBL16754671 0.88 HRH3 (0.38) WNT3AGRM5ABL1USP30HRH3
SCHEMBL19669061 0.88 LIMK2 (0.36) LIMK2HRH3
SCHEMBL17768108 0.88 WNT3A (0.43) WNT3AABL1PSEN1PSEN2APH1B
SCHEMBL16754297 0.88 WNT3A (0.43) WNT3AABL1PSEN1PSEN2APH1B

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 WNT3A 4482/4885GRM5 3937/4885LIMK2 3709/4885

“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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