SCHEMBL3973254

SCHEMBL3973254

O=C(O)c1cn2ccnc2cc1Nc1ccc(Br)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MPO P05164 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 2/20 0.38
DHODH Q02127 1/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
SMC2 O95347 1/20 0.35
EGFR P00533 1/20 0.35
CSNK2A2 P19784 1/20 0.35

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
SCHEMBL3973399 0.86 MAP2K1 (0.48) MPONPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1342912 0.82 MAP2K1 (0.40) KMT2AMEN1CTDSP1L3MBTL1NPC1
SCHEMBL13932885 0.82 MAP2K1 (0.55) KMT2AMEN1CTDSP1SMC2EGFR
SCHEMBL3973013 0.80 MAP2K1 (0.53) KMT2AMEN1CTDSP1RAB9AHTT
SCHEMBL3971678 0.79 MAP2K1 (0.41) KMT2AMEN1CTDSP1L3MBTL1NPC1
SCHEMBL3973153 0.78 MAP2K1 (0.47) KMT2AMEN1CTDSP1L3MBTL1NPC1
SCHEMBL6317901 0.75 MAP2K1 (0.58) MAP2K2MAP2K1
SCHEMBL3979053 0.75 L3MBTL1 (0.39) KMT2AMEN1CTDSP1L3MBTL1NPC1
SCHEMBL14499986 0.75 IRAK4 (0.41) KMT2AMEN1CTDSP1L3MBTL1NPC1
SCHEMBL1343591 0.74 KMT2A (0.46) KMT2AMEN1CTDSP1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
US-7144907-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-12-05 US disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 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 (6 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KMT2A 1998/4885MEN1 1323/4885CTDSP1 3033/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KMT2A 2008/4885MEN1 1465/4885CTDSP1 2953/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KMT2A 2278/4885MEN1 1542/4885CTDSP1 3137/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 KMT2A 2008/4885MEN1 1465/4885CTDSP1 2953/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 KMT2A 4321/4885MEN1 4629/4885CTDSP1 3456/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 KMT2A 1580/4885MEN1 906/4885CTDSP1 1643/4885

“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.