SCHEMBL3046598

SCHEMBL3046598

Nc1ccc(-c2[nH]c3ccccc3c2C#CCCO)c2c1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.39
CCND1 P24385 5/20 0.39
CCNE2 O96020 4/20 0.39
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
CAMK2B Q13554 3/20 0.39
CAMK2G Q13555 3/20 0.39
CAMK2D Q13557 3/20 0.39
CAMK2A Q9UQM7 3/20 0.39
CDK5 Q00535 2/20 0.39
CDK5R1 Q15078 2/20 0.39
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
MEN1 O00255 2/20 0.39
PRKD3 O94806 2/20 0.39

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
SCHEMBL3047003 0.76 MAP3K9 (0.40) CDK4CCND1CAMK2BCAMK2GCAMK2D
SCHEMBL3048654 0.70 GSK3B (0.36) CDK4CCND1CAMK2DCCNB2CDK1
SCHEMBL13290543 0.69 ALDH1A1 (0.51) MEN1KMT2AMAPT
SCHEMBL18170525 0.64 MAOA (0.45) CDK4MEN1PRKD3PRKCGPRKCB
SCHEMBL7429649 0.61 THRB (0.55) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL3048668 0.61 KDR (0.54) PRKACAPRKACGPRKACBMEN1PRKD3
SCHEMBL11602909 0.61 CDK4 (0.61) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL9832776 0.60 WEE1 (0.75) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL9832547 0.59 WEE1 (0.74) CDK4CCND1CCNE2CCNE1CDK2
Staurosporine Aglycon SCHEMBL29406635 0.58 CDK4 (1.00) CDK4CCND1CCNE2CCNE1CDK2

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-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 CDK4 423/4885CCND1 1559/4885CCNE2 905/4885

“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.