SCHEMBL3254726

SCHEMBL3254726

CCOC(=O)C(C#N)=C(C)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.44
▸ MAPT P10636 7/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ CDC7 O00311 2/20 0.39
▸ DBF4 Q9UBU7 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ NAMPT P43490 1/20 0.37

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
SCHEMBL3254725 1.00 KMT2A (0.44) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL11138250 0.89 MAPT (0.46) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL11138252 0.89 MAPT (0.46) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL24704157 0.87 ALDH1A1 (0.47) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL12446816 0.85 MAPT (0.50) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1553340 0.85 MAPT (0.50) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1553339 0.85 MAPT (0.50) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1554071 0.85 DHODH (0.44) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL1554070 0.85 DHODH (0.44) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL28512921 0.84 ALDH1A1 (0.42) KMT2AMAPTALDH1A1MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558607-B1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2010-05-05 — — EP disclosed
EP-1558607-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2005-08-03 — — EP disclosed
US-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2004-06-24 — — US disclosed
WO-2004041813-A1 COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-05-21 — — 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-20040122016-A1 Compositions useful as inhibitors of rock and other protein kinases ROCK1, ROCK2, PRKCH KMT2A 2571/4885MAPT 617/4885ALDH1A1 4771/4885

“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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