SCHEMBL6840024

SCHEMBL6840024

CSc1nccc(-c2nc(N)sc2C#N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 1/20 0.43
▸ MAPK9 P45984 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK14 Q16539 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ CSNK1E P49674 2/20 0.37
▸ POLB P06746 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
SCHEMBL6839924 0.79 LMNA (0.46) KDM4ENPSR1L3MBTL1MAPK1LMNA
SCHEMBL6839968 0.78 KDM4E (0.44) KDM4ENPSR1L3MBTL1MAPK1LMNA
SCHEMBL6835784 0.76 KDM4E (0.32) KDM4ENPSR1LMNAMAPK10ALDH1A1
SCHEMBL6839964 0.76 MYC (0.31) KDM4EALDH1A1MYCWDR5SMN1; SMN2
SCHEMBL6840123 0.75 ALDH1A1 (0.55) KDM4ENPSR1L3MBTL1MAPK1LMNA
SCHEMBL19638056 0.74 TGFBR1 (0.48) KDM4ENPSR1MAPK1LMNAALDH1A1
SCHEMBL1850971 0.73 TGFBR1 (0.51) KDM4EL3MBTL1LMNAALDH1A1HPGD
SCHEMBL30309300 0.73 TGFBR1 (0.51) KDM4EL3MBTL1LMNAALDH1A1HPGD
SCHEMBL5779376 0.72 ALDH1A1 (0.55) KDM4ENPSR1L3MBTL1MAPK1LMNA
SCHEMBL18230478 0.72 CCR1 (0.49) KDM4EL3MBTL1MAPK1LMNAALDH1A1

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 KDM4E 2200/4885NPSR1 4046/4885L3MBTL1 2910/4885

“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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