SCHEMBL17778667

SCHEMBL17778667

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(-c4cnn(C)c4)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.39
▸ DYRK1B Q9Y463 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PIK3CA P42336 2/20 0.36
▸ MTOR P42345 2/20 0.36
▸ IKBKE Q14164 1/20 0.35
▸ TBK1 Q9UHD2 1/20 0.35
▸ TTK P33981 3/20 0.35
▸ GSK3B P49841 5/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CLK2 P49760 3/20 0.35
▸ WNT1 P04628 3/20 0.35
▸ CLK3 P49761 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ CSF1R P07333 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
SCHEMBL19706754 1.00 DYRK1A (0.39) DYRK1ADYRK1BIRAK4PIK3CAMTOR
SCHEMBL17618695 0.90 BTK (0.39) CLK2LRRK2
SCHEMBL17778914 0.89 DYRK1A (0.43) DYRK1AIRAK4GSK3BCLK2WNT1
SCHEMBL19706746 0.89 RAF1 (0.35) DYRK1AIRAK4GSK3BMAPTCLK2
SCHEMBL19689724 0.89 RAF1 (0.35) DYRK1AIRAK4GSK3BMAPTCLK2
SCHEMBL17770596 0.88 PRMT5 (0.38) GSK3BMAPTKIT
SCHEMBL16754293 0.88 PRMT5 (0.38) GSK3BMAPTKIT
SCHEMBL17778671 0.87 EGFR (0.43) DYRK1AIRAK4PIK3CAMTORTTK
SCHEMBL17618520 0.87 USP30 (0.37) DYRK1AGSK3B
SCHEMBL17767975 0.87 WNT3A (0.35) DYRK1ACLK2CLK3KIT

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 DYRK1A 3048/4885DYRK1B 2619/4885IRAK4 2889/4885

“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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