Sugi Predict

Sugi Predict / Compounds / SCHEMBL5754034

SCHEMBL5754034

SCHEMBL5754034

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 2/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ P2RX7 Q99572 2/20 0.38
▸ THRB P10828 1/20 0.37
▸ P2RX3 P56373 4/20 0.37
▸ MAPK8 P45983 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL5863739 0.91 MAPK8 (0.38) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5786959 0.90 L3MBTL1 (0.37) LMNASMN1; SMN2KDM4ECYP3A4CYP2C19
SCHEMBL5863779 0.87 TDP1 (0.36) CYP3A4CYP2C19P2RX7MAPK8TP53
SCHEMBL5754107 0.86 ALDH1A1 (0.41) LMNASMN1; SMN2KDM4ECYP3A4CYP2C19
SCHEMBL5752888 0.86 KIF11 (0.41) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5864327 0.86 CYP2C19 (0.40) CYP1A2CYP3A4CYP2C9CYP2C19P2RX7
SCHEMBL5864191 0.85 PDE4A (0.39) KDM4ETDP1PTGS1PTGS2
SCHEMBL5863996 0.84 ALDH1A1 (0.39) LMNAKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL5864291 0.82 TDP1 (0.42) LMNASMN1; SMN2KDM4ECYP3A4CYP2C19
SCHEMBL4531445 0.81 KIF11 (0.41) LMNASMN1; SMN2KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556357-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-09-13 — — EP disclosed
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
EP-1556357-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-27 — — EP disclosed
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 — — US disclosed
WO-2003106426-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-12-24 — — 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 (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 GRIN1 3081/4885GRIN2B 3012/4885LMNA 2021/4885
US-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 GRIN1 3335/4885GRIN2B 3388/4885LMNA 469/4885

“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.