SCHEMBL6415743

SCHEMBL6415743

CN(C)CCN(C)S(=O)(=O)c1cccc(CCCNc2nccc(N(C)c3nc(-c4ccccc4)cc4ncnn34)n2)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 6/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ BRAF P15056 3/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ TRIM58 Q8NG06 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ NMT1 P30419 1/20 0.32
▸ CALCA P06881 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL6431700 0.89 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6415740 0.86 KDR (0.33) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6415735 0.82 MAPK14 (0.33) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6431698 0.75 KDR (0.41) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6431694 0.71 KDR (0.40) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6415989 0.70 CKS1B (0.38) CYP3A4CYP2C9CYP2C19EGLN2HPGD
SCHEMBL6416705 0.70 BPTF (0.38) CYP3A4CYP2C9CYP2C19KMT2AHPGD
SCHEMBL5310133 0.69 EPHB4 (0.38) KDR
SCHEMBL6417723 0.69 CFD (0.34) KDRHRH4
SCHEMBL5315338 0.69 EPHB4 (0.38) KDR

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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