SCHEMBL4520172

SCHEMBL4520172

[NH]C(=O)c1ncc2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CDK2 P24941 2/20 0.41
▸ PAK1 Q13153 1/20 0.39
▸ CCNT1 O60563 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ POLA1 P09884 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ MAP3K6 O95382 1/20 0.33
▸ MAP3K5 Q99683 1/20 0.33
▸ PARP1 P09874 1/20 0.30

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
SCHEMBL788098 0.84 ALDH1A1 (0.52) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL1721311 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29599053 0.82 RXFP1 (0.51) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL7771676 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL30556758 0.82 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL28190667 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL6046334 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29400266 0.78 KDM4E (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL30119558 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL28486689 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 — — US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 — — EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 — — WO 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 ALDH1A1 2810/4885KDM4E 4294/4885RXFP1 745/4885

“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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