SCHEMBL6839964

SCHEMBL6839964

C[S+]([O-])c1nccc(-c2nc(N)sc2C#N)n1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MYC P01106 1/20 0.31
▸ WDR5 P61964 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL6840009 0.80 MEN1 (0.41) ALDH1A1
SCHEMBL6842528 0.79 — —
SCHEMBL6840024 0.76 KDM4E (0.46) MYCWDR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL6835784 0.74 KDM4E (0.32) MYCWDR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL5777962 0.73 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2
SCHEMBL15653814 0.73 CDK4 (0.50) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5819549 0.72 TGFBR1 (0.55) MYCWDR5KDM4EALDH1A1SMN1; SMN2
SCHEMBL30309300 0.71 TGFBR1 (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL1850971 0.71 TGFBR1 (0.51) KDM4EALDH1A1SMN1; SMN2
SCHEMBL18230478 0.70 CCR1 (0.49) MYCWDR5KDM4EALDH1A1

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-20040181066-A1 Tyrosine kinase inhibitors FRALEY MARK E (US) 2004-09-16 — — US disclosed
WO-2003011838-A1 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-02-13 — — 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 (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-20040181066-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MYC 684/4885WDR5 2602/4885KDM4E 2200/4885

“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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