SCHEMBL5403065

SCHEMBL5403065

O=C(NCCCn1ccnc1)c1cc(-c2cnc3c(-c4ccccc4)cnn3c2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MARK3 P27448 12/20 0.57
▸ LMNA P02545 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ SGK1 O00141 1/20 0.51
▸ PIK3CD O00329 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ MAPK13 O15264 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ NUAK1 O60285 1/20 0.51
▸ CCNT1 O60563 1/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ RAF1 P04049 1/20 0.51
▸ NTRK1 P04629 1/20 0.51

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
SCHEMBL5410365 0.82 MMP12 (0.61) MARK3HTTSGK1PIK3CDCHEK1
SCHEMBL5418877 0.82 MARK3 (0.67) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5408669 0.81 MARK3 (0.62) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5418238 0.81 MARK3 (0.60) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5416556 0.79 MARK3 (0.68) MARK3HTTSGK1PIK3CDCHEK1
SCHEMBL5405711 0.77 MARK3 (0.57) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5414309 0.76 KDR (0.60) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5403017 0.75 KDR (0.57) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5410676 0.74 MARK3 (0.61) MARK3SGK1PIK3CDCHEK1MAPK13
SCHEMBL5406806 0.74 KDR (0.56) MARK3SGK1PIK3CDCHEK1MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 — — US claimed
US-20060183755-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-17 — — US claimed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 — — WO claimed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 — — US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 — — US disclosed
US-7262199-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-08-28 — — US disclosed
US-20060183755-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-17 — — US disclosed
WO-2004052286-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 — — 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-20060183755-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR MARK3 304/4885LMNA 3576/4885HTT 3035/4885

“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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