SCHEMBL17282298

SCHEMBL17282298

[3H]c1cc(-c2cn(C)c3cnccc23)cc([3H])c1NC(=O)Nc1c([3H])cccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 3/20 0.48
▸ NFATC1 O95644 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ IMPDH2 P12268 3/20 0.42
▸ S1PR1 P21453 2/20 0.40
▸ S1PR3 Q99500 2/20 0.40
▸ HTT P42858 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ IKBKE Q14164 1/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDR P35968 4/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ PDGFRA P16234 1/20 0.36

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
SCHEMBL17282299 0.86 IMPDH2 (0.53) DYRK1ANFATC1GSK3BIMPDH2S1PR1
SCHEMBL15548150 0.76 SMN1; SMN2 (0.58) DYRK1ANFATC1GSK3BMEN1KMT2A
SCHEMBL15550098 0.73 DYRK1A (0.63) DYRK1ANFATC1GSK3BS1PR1S1PR3
SCHEMBL15548085 0.70 DYRK1A (0.42) DYRK1ANFATC1GSK3BIMPDH2S1PR1
SCHEMBL15547534 0.69 AHR (0.56) MEN1KMT2ALMNAMAPTKDR
SCHEMBL17282300 0.69 AHR (0.48) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL17282297 0.67 DYRK1A (0.79) DYRK1ANFATC1GSK3BPDPK1TGFBR1
SCHEMBL17286122 0.66 DYRK1A (0.55) DYRK1ANFATC1GSK3BS1PR1S1PR3
SCHEMBL20379377 0.64 NAMPT (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL15547185 0.64 DYRK1A (0.77) DYRK1ANFATC1GSK3BPDPK1TGFBR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MERCK SHARPE & DOHME CORP. 2015-11-26 — — 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-20150336948-A1 Isotopically Labeled Biaryl Urea Compounds MAPT, SLC14A1, UBTF DYRK1A 2261/4885NFATC1 3349/4885GSK3B 226/4885

“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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