SCHEMBL2433433

SCHEMBL2433433

CN(C)/C=C1/CCc2sc(Br)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL2433436 1.00 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL11294831 0.83 MEN1 (0.40) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL12330006 0.82 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL11297073 0.73 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2435288 0.73 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2435284 0.73 ALDH1A1 (0.39) KDM4EMEN1KMT2AALDH1A1
SCHEMBL2433949 0.73 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL2433947 0.73 KMT2A (0.45) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL23042702 0.73 PBRM1 (0.31)
SCHEMBL28725446 0.72 ALDH1A1 (0.41) KDM4EMEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
EP-1692140-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-12-09 EP disclosed
US-20050148603-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 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 (3 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-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 KDM4E 2132/4885MEN1 1496/4885KMT2A 2061/4885
US-20050148603-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K6 KDM4E 2132/4885MEN1 1496/4885KMT2A 2061/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 KDM4E 2132/4885MEN1 1496/4885KMT2A 2061/4885

“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.