SCHEMBL3978828

SCHEMBL3978828

COC(=O)c1cn2c(N3CCN(C)CC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 9/20 0.43
KCNH2 Q12809 1/20 0.38
SCN5A Q14524 1/20 0.38
WDR5 P61964 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K1 Q02750 2/20 0.36
SMC2 O95347 1/20 0.36
EGFR P00533 1/20 0.36
CSNK2A2 P19784 1/20 0.36
MAP2K2 P36507 1/20 0.36
SMC1A Q14683 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
Q6ZSR9 Q6ZSR9 1/20 0.36
BMP2K Q9NSY1 1/20 0.36
SRC P12931 1/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HTR6 P50406 1/20 0.34
PIK3R1 P27986 1/20 0.34

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
SCHEMBL3974319 0.84 SRC (0.39) CSF1RKMT2AMAP2K1SMC2EGFR
SCHEMBL3971622 0.84 MAP2K1 (0.54) CSF1RKCNH2SCN5AMAP2K1SMC2
SCHEMBL3973788 0.81 MAP2K1 (0.38) CSF1RKMT2AMAP2K1SMC2EGFR
SCHEMBL3979226 0.80 SRC (0.38) CSF1RKMT2AMAP2K1SMC2EGFR
SCHEMBL14489490 0.77 MAP2K1 (0.49) CSF1RKCNH2SCN5AKMT2AMAP2K1
SCHEMBL5331353 0.77 POLB (0.39) CSF1RKCNH2SCN5AKMT2AMAP2K1
SCHEMBL1343797 0.77 MAP2K1 (0.39) KMT2AMAP2K1SMC2EGFRCSNK2A2
SCHEMBL5406685 0.76 MAP2K1 (0.52) KMT2AMAP2K1SMC2EGFRCSNK2A2
SCHEMBL5330182 0.76 L3MBTL1 (0.38) KMT2AMAP2K1SMC2EGFRCSNK2A2
SCHEMBL3971180 0.76 MAP2K1 (0.34) MAP2K1SMC2EGFRCSNK2A2MAP2K2

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 16 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
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-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 CSF1R 1571/4885KCNH2 2934/4885SCN5A 4226/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 CSF1R 1633/4885KCNH2 3205/4885SCN5A 4504/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 CSF1R 1664/4885KCNH2 3225/4885SCN5A 4609/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 CSF1R 1633/4885KCNH2 3205/4885SCN5A 4504/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 CSF1R 1311/4885KCNH2 4167/4885SCN5A 4180/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 CSF1R 1863/4885KCNH2 3223/4885SCN5A 4544/4885

“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.