SCHEMBL3390289

SCHEMBL3390289

O=C(Cc1ccc(CN2C(=O)c3ccccc3C2=O)c(Cl)c1)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 9/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 3/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 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
SCHEMBL14370075 0.79 KMT2A (0.59) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL13007386 0.76 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL4798275 0.76 KMT2A (1.00) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL4800601 0.74 KMT2A (0.76) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL13007428 0.72 MEN1 (0.46) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL11820042 0.69 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL15492070 0.68 HPGD (0.48) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL11081773 0.67 MAPT (0.58) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL4831546 0.66 KMT2A (0.62) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL7654082 0.65 MEN1 (0.56) KMT2AMEN1L3MBTL1LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423380-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2010-12-15 EP disclosed
EP-1423380-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2010-12-15 EP disclosed
EP-1423382-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-04-16 EP disclosed
EP-1423382-B1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMA (US) 2008-04-16 EP disclosed
US-7279476-B2 Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279476-B2 Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7279476-B2 Anticancer agents, antiinflamamtory agents, restenosis, cardiovascular disorders; insertable device VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-09 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-7183307-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCROPORATED (US) 2007-02-27 US disclosed
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-09-29 US disclosed
US-6875789-B2 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-05 US disclosed
US-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-10-21 US disclosed
US-6750239-B2 USEFUL FOR TREATING DISEASE STATES IN MAMMALS THAT ARE ALLEVIATED BY A PROTEIN KINASE INHIBITOR, PARTICULARLY DISEASES SUCH AS CANCER, INFLAMMATORY DISORDERS, RESTENOSIS, AND CARDIOVASCULAR DISEASE VERTEX PHARMACEUTICALS INCORPORATED 2004-06-15 US disclosed
EP-1423382-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
EP-1423380-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2004-06-02 EP disclosed
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-31 US disclosed
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-07-24 US disclosed
WO-2003011855-A2 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 WO disclosed
WO-2003011854-A1 PYRAZOLE-DERIVED KINASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (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-20040209935-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 KMT2A 2557/4885MEN1 3250/4885ALDH1A1 2903/4885
US-20050215550-A1 Pyrazole-derived kinase inhibitors and uses thereof MAP3K19, MAP3K1, MAP3K3 KMT2A 2406/4885MEN1 3220/4885ALDH1A1 3683/4885
US-20030139452-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 KMT2A 2748/4885MEN1 3208/4885ALDH1A1 3191/4885
US-20030144337-A1 Pyrazole-derived kinase inhibitors and uses thereof RAF1, MAP3K1, MAP3K3 KMT2A 2557/4885MEN1 3250/4885ALDH1A1 2903/4885

“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.