SCHEMBL6431700

SCHEMBL6431700

CN(c1ccnc(NCCCc2cccc(S(N)(=O)=O)c2)n1)c1nc(-c2ccccc2)cc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 11/20 0.40
▸ CYP3A4 P08684 7/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ CYP2C9 P11712 7/20 0.40
▸ CYP2C19 P33261 7/20 0.40
▸ CHRNA7 P36544 1/20 0.36
▸ VCP P55072 1/20 0.35
▸ CDK1 P06493 3/20 0.35
▸ MTOR P42345 2/20 0.35
▸ SMG1 Q96Q15 2/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ PDE5A O76074 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ MLKL Q8NB16 1/20 0.33
▸ RIPK3 Q9Y572 1/20 0.33
▸ CCNT1 O60563 1/20 0.33

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
SCHEMBL6415743 0.89 KDR (0.33) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6431698 0.85 KDR (0.41) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6431694 0.81 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6415740 0.75 KDR (0.33) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6417723 0.73 CFD (0.34) KDR
SCHEMBL6415989 0.72 CKS1B (0.38) CYP3A4CYP2C9CYP2C19VCP
SCHEMBL6416705 0.72 BPTF (0.38) CYP3A4CYP2C9CYP2C19
SCHEMBL5310133 0.71 EPHB4 (0.38) KDR
SCHEMBL5315338 0.71 EPHB4 (0.38) KDR
SCHEMBL6415735 0.71 MAPK14 (0.33) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — US claimed
US-20050288502-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-12-29 — — 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 (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-20050288502-A1 Substituted heterocyclic compounds and methods of use MYLK2, IAPP, MAPT KDR 218/4885CYP3A4 864/4885CYP2D6 2044/4885

“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.

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