SCHEMBL3974727

SCHEMBL3974727

COC(=O)c1cn2c(Cc3ccccc3)nnc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
ALDH1A1 P00352 2/20 0.37
PTGS2 P35354 1/20 0.37
P2RX7 Q99572 5/20 0.37
POLB P06746 3/20 0.36
MAPK8 P45983 1/20 0.35
MAP2K1 Q02750 3/20 0.35
SMC2 O95347 1/20 0.35
EGFR P00533 1/20 0.35
CSNK2A2 P19784 1/20 0.35
MAP2K2 P36507 1/20 0.35
SMC1A Q14683 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
Q6ZSR9 Q6ZSR9 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 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
SCHEMBL3975058 0.83 MAP2K1 (0.52) ALDH1A1PTGS2MAP2K1SMC2EGFR
SCHEMBL14427551 0.80 GAA (0.42) GAAALDH1A1POLBMAP2K1SMC2
SCHEMBL3974319 0.78 SRC (0.39) GAAALDH1A1PTGS2POLBMAP2K1
SCHEMBL3977876 0.77 MAPT (0.45) GAAALDH1A1POLBMAP2K1SMC2
SCHEMBL3979226 0.77 SRC (0.38) GAAALDH1A1PTGS2POLBMAP2K1
SCHEMBL5330182 0.77 L3MBTL1 (0.38) GAAALDH1A1PTGS2POLBMAP2K1
SCHEMBL3973788 0.76 MAP2K1 (0.38) GAAALDH1A1PTGS2POLBMAP2K1
SCHEMBL1343797 0.76 MAP2K1 (0.39) GAAALDH1A1PTGS2POLBMAP2K1
SCHEMBL3975034 0.75 MAP2K1 (0.41) GAAALDH1A1PTGS2MAP2K1SMC2
SCHEMBL3978828 0.71 CSF1R (0.43) GAAMAP2K1SMC2EGFRCSNK2A2

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 GAA 3172/4885ALDH1A1 1431/4885PTGS2 1213/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 GAA 3119/4885ALDH1A1 1609/4885PTGS2 1115/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 GAA 3342/4885ALDH1A1 1721/4885PTGS2 1276/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 GAA 3119/4885ALDH1A1 1609/4885PTGS2 1115/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 GAA 444/4885ALDH1A1 408/4885PTGS2 12/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 GAA 3011/4885ALDH1A1 2351/4885PTGS2 1919/4885

“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.