SCHEMBL10154082

SCHEMBL10154082

Cn1cncc1-c1cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)cc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)cc3)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
KIF11 P52732 3/20 0.46
HPGDS O60760 1/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
GSK3B P49841 5/20 0.40
DYRK1A Q13627 5/20 0.40
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
LDLR P01130 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
DGAT1 O75907 1/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
WNT1 P04628 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL22845306 0.90 IDO1 (0.47) IDO1KIF11HPGDSTNKSTNKS2
SCHEMBL17300880 0.77 IDO1 (0.62) IDO1KIF11HPGDSGSK3BDYRK1A
SCHEMBL10154066 0.75 KIF11 (0.60) KIF11DGAT1ALDH1A1
SCHEMBL10154080 0.75 KIF11 (0.60) KIF11DGAT1ALDH1A1
SCHEMBL19016861 0.75 KIF11 (0.47) IDO1KIF11HPGDSGSK3BDYRK1A
SCHEMBL20075350 0.74 P2RY14 (0.47) GSK3BDYRK1AWNT1CLK2CLK3
SCHEMBL23319641 0.74 KIF11 (0.61) KIF11KDM4EALDH1A1HPGDALOX15
SCHEMBL4322427 0.74 KIF11 (0.61) KIF11KDM4EALDH1A1HPGDALOX15
SCHEMBL20249405 0.72 HPGDS (0.51) IDO1HPGDSGSK3BDYRK1APRMT5
SCHEMBL13589293 0.72 IDO1 (0.44) IDO1HPGDSGSK3BDYRK1APRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 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-20120041203-A1 METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM MICA, CD4, CLTC IDO1 2065/4885KIF11 913/4885HPGDS 4121/4885

“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.