SCHEMBL5863739

SCHEMBL5863739

CC(C)C(c1cc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)N1CC(C)(C)N=C1c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 5/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
PDE1C Q14123 1/20 0.38
USP2 O75604 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
P2RX7 Q99572 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CASR P41180 1/20 0.35
KIF11 P52732 1/20 0.35

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
SCHEMBL5786959 0.91 L3MBTL1 (0.37) MAPK8ALDH1A1KDM4EHTTCYP3A4
SCHEMBL5754034 0.91 GRIN1 (0.39) MAPK8KDM4EHTTCYP1A2CYP3A4
SCHEMBL5752888 0.91 KIF11 (0.41) MAPK8KDM4EHTTUSP2CYP1A2
SCHEMBL5863779 0.89 TDP1 (0.36) MAPK8PDE1CCYP3A4CYP2C19PTGS1
SCHEMBL5754107 0.88 ALDH1A1 (0.41) MAPK8ALDH1A1KDM4EHTTCYP3A4
SCHEMBL5864327 0.87 CYP2C19 (0.40) MAPK8ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5864191 0.86 PDE4A (0.39) ALDH1A1KDM4EPTGS1PTGS2TDP1
SCHEMBL5863996 0.86 ALDH1A1 (0.39) MAPK8ALDH1A1KDM4EHTTUSP2
SCHEMBL5864291 0.83 TDP1 (0.42) MAPK8ALDH1A1KDM4EHTTPDE1C
SCHEMBL4518681 0.81 KIF11 (0.44) ALDH1A1USP2CYP1A2CYP3A4CYP2C9

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 MAPK8 2064/4885ALDH1A1 1833/4885KDM4E 1744/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 MAPK8 1354/4885ALDH1A1 2274/4885KDM4E 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.