SCHEMBL19689744

SCHEMBL19689744

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cn(C)nc4C(F)(F)F)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.41
▸ IRAK4 Q9NWZ3 7/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ BRD4 O60885 5/20 0.34
▸ CREBBP Q92793 5/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HSD17B13 Q7Z5P4 1/20 0.34
▸ SYK P43405 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ CSNK1E P49674 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
SCHEMBL17778665 1.00 PIK3C3 (0.41) PIK3C3IRAK4WDR5BRD4CREBBP
SCHEMBL17778912 0.90 IRAK4 (0.35) PIK3C3IRAK4MAPK1KCNH2CSNK1D
SCHEMBL19689781 0.90 IRAK4 (0.35) PIK3C3IRAK4MAPK1KCNH2CSNK1D
SCHEMBL17778744 0.87 RAF1 (0.39) PIK3C3IRAK4KCNH2
SCHEMBL19689811 0.86 DYRK1A (0.42) PIK3C3IRAK4MAPK1KCNH2
SCHEMBL17778803 0.86 DYRK1A (0.42) PIK3C3IRAK4MAPK1KCNH2
SCHEMBL17778914 0.84 DYRK1A (0.43) IRAK4
SCHEMBL16754282 0.84 KARS1 (0.40) MAPK1SYK
SCHEMBL17778323 0.84 KARS1 (0.40) MAPK1SYK
SCHEMBL17778806 0.84 MEN1 (0.43) SYK

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 PIK3C3 4720/4885IRAK4 2889/4885WDR5 608/4885

“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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