SCHEMBL5120052

SCHEMBL5120052

CC(C)Cc1nc2cncnc2c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 16/20 0.53
CYP2C9 P11712 15/20 0.53
CYP2C19 P33261 15/20 0.53
LMNA P02545 7/20 0.53
CYP3A4 P08684 14/20 0.49
USP2 O75604 12/20 0.49
ALDH1A1 P00352 9/20 0.49
MAPK1 P28482 5/20 0.49
HSD17B10 Q99714 4/20 0.49
CYP2D6 P10635 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
HBB P68871 1/20 0.48
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
CASP7 P55210 1/20 0.44
HIF1A Q16665 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43

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
SCHEMBL5106687 0.83 LMNA (0.50) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL5105792 0.81 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL4314434 0.80 PDE4A (0.52) CYP1A2CYP2C9CYP2C19LMNACYP3A4
SCHEMBL5111971 0.79 PDE4A (0.50) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL5108726 0.78 MEN1 (0.46) LMNAUSP2ALDH1A1MEN1KMT2A
SCHEMBL5106062 0.77 PDE4A (0.51) CYP1A2CYP2C9CYP2C19LMNAALDH1A1
SCHEMBL4098315 0.77 LMNA (0.48) LMNAUSP2ALDH1A1MEN1KMT2A
SCHEMBL5118726 0.77 PDE4A (0.50) LMNAMEN1KMT2APDE4APDE4B
SCHEMBL4091105 0.75 PDE4A (0.51) LMNAALDH1A1MEN1KMT2ARECQL
SCHEMBL5647619 0.73 TDP1 (0.55) CYP2C19LMNACYP3A4ALDH1A1MEN1

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-7332498-B2 Modulation of KSP kinesin activity with heterocyclic-fused pyrimidinone derivatives CYTOKINETICS, INC. (US) 2008-02-19 US disclosed
US-20060111374-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2006-05-25 US disclosed
US-7038048-B2 3H-pyridopyrimidin-4-one compounds, compositions, and methods of their use CYTOKINETICS, INC. (US) 2006-05-02 US disclosed
US-20040116438-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2004-06-17 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-20060111374-A1 Compounds, compositions, and methods ALPP, MKI67, PCNA CYP1A2 4057/4885CYP2C9 4768/4885CYP2C19 4688/4885

“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.