SCHEMBL19689724

SCHEMBL19689724

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(-c4cn(C)nc4C)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ WNT3A P56704 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ AURKA O14965 2/20 0.33
▸ AURKB Q96GD4 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ USP30 Q70CQ3 2/20 0.33
▸ ABL1 P00519 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
SCHEMBL19706746 1.00 RAF1 (0.35) RAF1BRD4IRAK4BRAFMCL1
SCHEMBL19706754 0.89 DYRK1A (0.39) IRAK4CLK2CLK3DYRK1AKIT
SCHEMBL17778667 0.89 DYRK1A (0.39) IRAK4CLK2CLK3DYRK1AKIT
SCHEMBL17778912 0.89 IRAK4 (0.35) IRAK4DYRK1AEGFRKCNH2ABL1
SCHEMBL19689781 0.89 IRAK4 (0.35) IRAK4DYRK1AEGFRKCNH2ABL1
SCHEMBL17778662 0.87 DYRK1A (0.35) CLK2CLK3DYRK1AWNT3AKIT
SCHEMBL16754293 0.86 PRMT5 (0.38) WNT3AKITUSP30ABL1HRH3
SCHEMBL17770596 0.86 PRMT5 (0.38) WNT3AKITUSP30ABL1HRH3
SCHEMBL19689861 0.86 CCNE1 (0.36) RAF1IRAK4AURKAAURKBEGFR
SCHEMBL17618520 0.85 USP30 (0.37) DYRK1AWNT3AUSP30ABL1GSK3B

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 RAF1 2078/4885BRD4 429/4885IRAK4 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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