SCHEMBL10157678

SCHEMBL10157678

CNC(=O)c1ccc(N=O)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.46
▸ HDAC6 Q9UBN7 2/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ PLAU P00749 1/20 0.44
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MMP13 P45452 1/20 0.42
▸ PLK1 P53350 6/20 0.42
▸ THRB P10828 1/20 0.41
▸ CA2 P00918 1/20 0.40
▸ NEU3 Q9UQ49 1/20 0.39

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
SCHEMBL13761441 0.81 MAPK14 (0.45) HPGD
SCHEMBL12826671 0.79 MEN1 (0.49) HPGDTSHRSMN1; SMN2CA2
SCHEMBL4141704 0.79 KMT2A (0.56) HDAC8HDAC6HDAC2PLAUHPGD
SCHEMBL30997032 0.79 NEU3 (0.56) HDAC8HDAC6HDAC2PLAUHPGD
SCHEMBL22893678 0.78 PARP1 (0.46) TSHRSMN1; SMN2CA2
SCHEMBL12218136 0.76 HDAC6 (0.50) HDAC8HDAC6HDAC2PLAUHPGD
SCHEMBL13513549 0.75 ATM (0.44) HPGDTSHRHTTSMN1; SMN2
SCHEMBL12139942 0.75 HPGD (0.43) HPGDSMN1; SMN2
SCHEMBL21416718 0.75 PLK1 (0.50) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL11959873 0.74 TAS1R3 (0.59) HDAC8HDAC6HDAC2PLAUHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-01 — — US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 — — US disclosed
US-8067417-B2 Imidazo[1,2-F]pteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-29 — — US disclosed
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-27 — — US disclosed
US-7763629-B2 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-27 — — US disclosed
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2009-03-05 — — 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 (4 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-20120277425-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 HDAC8 4640/4885HDAC6 3294/4885HDAC2 3806/4885
US-20090062292-A1 Tetrahydropteridines useful as inhibitors of protein kinases PRKCH, DMPK, MAP3K20 HDAC8 4640/4885HDAC6 3294/4885HDAC2 3806/4885
US-20110021519-A1 TETRAHYDROPTERIDINES USEFUL AS INHIBITORS OF PROTEIN KINASES PRKCH, DMPK, MAP3K20 HDAC8 4640/4885HDAC6 3294/4885HDAC2 3806/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 HDAC8 1376/4885HDAC6 677/4885HDAC2 797/4885

“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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