SCHEMBL3646903

SCHEMBL3646903

O=C(O)C(Nc1ncc2c[nH]nc2n1)C(=O)Nc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ OGG1 O15527 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ ROCK1 Q13464 3/20 0.33
▸ MYLK4 Q86YV6 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 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
SCHEMBL3415679 0.74 CDK2 (0.55) CCNE1CDK2MAPTGAAATM
SCHEMBL5022949 0.74 ADORA3 (0.43) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL9155698 0.70 POLB (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9155687 0.70 POLB (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL83895 0.68 MEN1 (0.42) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL5027403 0.66 L3MBTL1 (0.36) CCNE2CCNE1CDK2KMT2AALDH1A1
SCHEMBL5015388 0.62 ALDH1A1 (0.35) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL3651264 0.61 ROCK2 (0.43) CDK2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5014878 0.60 HDAC6 (0.34) CCNE2CCNE1CDK2MEN1KMT2A
SCHEMBL9515695 0.59 MAPT (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-20100249067-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC. (US) 2010-09-30 — — 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-20100249067-A1 Modulators of Mitotic Kinases BUB1, BUB1B, CDK1 CCNE2 210/4885CCNE1 59/4885CDK2 10/4885

“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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