SCHEMBL5863996

SCHEMBL5863996

COc1ccc(C2=NC(C)(C)CN2C(c2cc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 4/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2C9 P11712 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C19 P33261 3/20 0.38
LMNA P02545 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5754107 0.91 ALDH1A1 (0.41) ALDH1A1HPGDKDM4ECYP3A4CYP2C19
SCHEMBL5864191 0.91 PDE4A (0.39) ALDH1A1HPGDKDM4EMAPT
SCHEMBL5864327 0.90 CYP2C19 (0.40) ALDH1A1NPSR1CYP1A2CYP3A4CYP2C9
SCHEMBL5863779 0.89 TDP1 (0.36) CYP3A4CYP2C19MAPTTP53MAPK8
SCHEMBL4524816 0.88 EGFR (0.43) ALDH1A1HPGDKDM4ENPSR1CYP3A4
SCHEMBL5786959 0.86 L3MBTL1 (0.37) ALDH1A1HPGDKDM4ECYP3A4CYP2C19
SCHEMBL5752888 0.86 KIF11 (0.41) HPGDKDM4EUSP2CYP1A2CYP3A4
SCHEMBL5863739 0.86 MAPK8 (0.38) ALDH1A1KDM4EUSP2CYP1A2CYP3A4
SCHEMBL5754034 0.84 GRIN1 (0.39) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5864291 0.83 TDP1 (0.42) ALDH1A1HPGDKDM4ENPSR1CYP3A4

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-7041676-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-05-09 US disclosed
US-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity CYTOKINETICS, INC. 2006-01-26 US disclosed
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 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 (2 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-20060019988-A1 Compounds for treating cell prolifieration disease with of kinesin activity , anticancer activity KIF5B, KIF2C, KIF18A ALDH1A1 1833/4885HPGD 1691/4885KDM4E 1744/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 ALDH1A1 2274/4885HPGD 802/4885KDM4E 1780/4885

“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.