SCHEMBL12196882

SCHEMBL12196882

C[C@H](N)c1nc2ncccn2c1-c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ LMNA P02545 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ GAA P10253 3/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL12196947 0.77 PIK3CD (0.37) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL2505110 0.77 PIK3CD (0.37) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL12265581 0.76 PIK3CD (0.54) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL13151092 0.75 ALDH1A1 (0.35) KDM4EMAPK1KLK7GAAAKT1
SCHEMBL12264066 0.74 KDM4E (0.45) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL2508401 0.73 PIK3CD (0.69) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL2545743 0.72 KLK7 (0.41) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL12196977 0.71 DYRK1A (0.36) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL2508774 0.71 DYRK1A (0.36) KDM4ELMNAMAPTHTTMAPK1
SCHEMBL17331525 0.69 BRD4 (0.40) KDM4ELMNAMAPTHTTMAPK1

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 — — US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 — — US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 — — 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 KDM4E 1806/4885LMNA 2309/4885MAPT 3355/4885

“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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