SCHEMBL6421369

SCHEMBL6421369

Cc1cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)nc(N[C@@H](C)Cc2cccc(C#N)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 9/20 0.36
▸ MAPK14 Q16539 4/20 0.35
▸ TGFBR1 P36897 3/20 0.35
▸ PDE2A O00408 2/20 0.34
▸ ACP1 P24666 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 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
SCHEMBL6421364 0.85 EGLN2 (0.36) EGLN2MAPK14TGFBR1ALDH1A1CYP1A2
SCHEMBL6415985 0.81 ACACB (0.37) EGLN2CYP1A2
SCHEMBL5913917 0.79 CLK4 (0.43) MAPK14USP2ALDH1A1CYP1A2MAPK1
SCHEMBL5913924 0.79 CLK4 (0.43) MAPK14USP2ALDH1A1CYP1A2MAPK1
SCHEMBL6417723 0.78 CFD (0.34) MAPK14MAPK1
SCHEMBL5310133 0.78 EPHB4 (0.38) MAPK14ACP1
SCHEMBL6415740 0.72 KDR (0.33) MAPK14CYP2C19
SCHEMBL5259529 0.72 ACACB (0.36) MAPK14CYP1A2
SCHEMBL5309889 0.72 KDM4E (0.41) EGLN2ALDH1A1MAPK1
SCHEMBL5914418 0.70 MAPK14 (0.40) MAPK14USP2ALDH1A1CYP1A2MAPK1

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-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — 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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT EGLN2 4721/4885MAPK14 2261/4885TGFBR1 2322/4885

“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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