SCHEMBL6421364

SCHEMBL6421364

CCC(Nc1nc(C)cc(N(C)c2nc(-c3ccccc3)cc3ncnn23)n1)c1cccc(C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 11/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R2 O00459 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6421369 0.85 EGLN2 (0.36) EGLN2ALDH1A1MAPK1TGFBR1MAPK14
SCHEMBL6415985 0.68 ACACB (0.37) EGLN2CYP1A2CYP3A4
SCHEMBL6415989 0.65 CKS1B (0.38) EGLN2CYP1A2CYP3A4HPGDCYP2C19
SCHEMBL6417723 0.65 CFD (0.34) MAPK1MAPK14KDM4E
SCHEMBL5913924 0.63 CLK4 (0.43) ALDH1A1MAPK1MAPK14LMNAABCG2
SCHEMBL5913917 0.63 CLK4 (0.43) ALDH1A1MAPK1MAPK14LMNAABCG2
SCHEMBL6419066 0.62 KDM4E (0.38) EGLN2ALDH1A1GAAMAPK1MAPK14
SCHEMBL21636333 0.58 ABCG2 (0.60) ALDH1A1MAPK1LMNAADORA2AADORA2B
SCHEMBL21636479 0.57 ABCG2 (0.57) ALDH1A1MAPK1LMNAADORA2AADORA2B
SCHEMBL21636326 0.56 ABCG2 (0.64) ALDH1A1MAPK1LMNAADORA2AADORA2B

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 4721/4885ALDH1A1 3162/4885GAA 2197/4885

“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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