Sugi Predict

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SCHEMBL4475017

SCHEMBL4475017

CNC(=O)c1cncc(-c2cnn3cc(-c4cccc(OC)c4)cnc23)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 9/20 0.61
▸ KMT2A Q03164 1/20 0.52
▸ GAK O14976 1/20 0.48
▸ BMP4 P12644 2/20 0.47
▸ FLT1 P17948 2/20 0.47
▸ FLT4 P35916 2/20 0.47
▸ TGFBR2 P37173 2/20 0.45
▸ MAOB P27338 1/20 0.44
▸ PRMT5 O14744 1/20 0.44
▸ WDR77 Q9BQA1 1/20 0.44
▸ EGLN1 Q9GZT9 1/20 0.43
▸ FGFR3 P22607 1/20 0.43
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ BMPR2 Q13873 1/20 0.43
▸ PRKAB1 Q9Y478 1/20 0.43
▸ PLK1 P53350 1/20 0.43
▸ PIK3CA P42336 1/20 0.42

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
SCHEMBL4479183 0.90 KDR (0.58) KDRKMT2AGAKBMP4FLT1
SCHEMBL4477345 0.89 KDR (0.62) KDRKMT2AGAKBMP4FLT1
SCHEMBL4466233 0.88 KDR (0.56) KDRKMT2AGAKBMP4FLT1
SCHEMBL4479049 0.79 KDR (0.59) KDRKMT2ABMP4FLT1FLT4
SCHEMBL4477974 0.78 KDR (0.57) KDRKMT2ABMP4FLT1FLT4
SCHEMBL4469276 0.78 KDR (0.57) KDRKMT2ABMP4FLT1FLT4
SCHEMBL4465890 0.74 KDR (0.60) KDRKMT2ABMP4FLT1FLT4
SCHEMBL13818131 0.73 KDR (0.52) KDRGAKBMP4FLT1FLT4
SCHEMBL4757135 0.72 KDR (0.68) KDRKMT2AGAKBMP4FLT1
SCHEMBL4479056 0.71 KDR (0.54) KDRBMP4FLT1FLT4

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-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 — — US claimed
US-20060025426-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US claimed
WO-2004052315-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2004-06-24 — — WO claimed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 — — US disclosed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 — — US disclosed
US-7550470-B2 Substituted pyrazolo[1,5-A]pyrimidines as tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 — — US disclosed
US-20060025426-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-02-02 — — US disclosed
WO-2004052315-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-20060025426-A1 Tyrosine kinase inhibitors FLT1, FLT4, KDR KDR 3/4885KMT2A 3866/4885GAK 108/4885

“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.