SCHEMBL4035546

SCHEMBL4035546

O=C(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 1/20 0.58
AGTR1 P30556 1/20 0.58
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
MAPT P10636 2/20 0.46
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
ELANE P08246 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44

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
Dimethyl Sulfoxide SCHEMBL7542256 0.90 MEN1 (0.51) MEN1KMT2AKDM4EALDH1A1AGTR1
SCHEMBL3184435 0.85 TSHR (0.70) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL11639337 0.85 SRD5A2 (0.67) MEN1KMT2AKDM4EALDH1A1AGTR1
SCHEMBL28814684 0.80 CES2 (0.63) TSHRSRD5A2CES2CES1NPC1
SCHEMBL5199645 0.79 CES2 (0.73) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL2783342 0.78 NAPRT (0.65) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL906513 0.75 TSHR (0.68) MEN1KMT2AKDM4ETSHRHPGD
SCHEMBL8055116 0.74 CES2 (0.57) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL7088584 0.74 TSHR (0.50) MEN1KMT2AKDM4ETSHRHPGD
SCHEMBL3136894 0.74 TSHR (0.59) MEN1KMT2AKDM4EPOLBTSHR

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-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
US-7235658-B2 Imidazol derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2007-06-26 US disclosed
US-20060142178-A1 Method of treating cancer BARNETT STANLEY F 2006-06-29 US disclosed
US-20060122207-A1 Imidazol derivatives as Raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. 2006-06-08 US disclosed
US-7026336-B1 4-pyridinylimidazol-2-ylhydrocarbyl amine, (thio)urea, carbamic acid or sulfonamide derivatives, e.g., (2-(4-(4-Chloro-3-methoxy-phenyl)-5-pyridin-4-yl-1H-imidazol-2-yl)-2-methyl-propyl)-carbamic acid tert-butyl ester; Raf kinase inhibitors for the treatment of neurotraumatic diseases SMITHKLINE BEECHAM P.L.C. (GB) 2006-04-11 US disclosed
US-6987119-B2 Imidazol-2-carboxamide derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2006-01-17 US disclosed
EP-1496981-A2 METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2005-01-19 EP disclosed
US-20040102360-A1 Combination therapy BARNETT STANLEY F (US) 2004-05-27 US disclosed
EP-1261602-B1 IMIDAZOL-2-CARBOXAMIDE DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
EP-1263753-B1 IMIDAZOL DERIVATIVES AS RAF KINASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2004-05-06 EP disclosed
WO-2003084473-A2 METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2003-10-16 WO disclosed
US-20030153588-A1 Imidazol derivatives as raf kinase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-08-14 US disclosed
US-20030134837-A1 Imidazol-2-carboxamide derivatives as raf kinase inhibitors GAIBA ALESSANDRA (GB) 2003-07-17 US disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
EP-0854870-A4 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0854870-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 1998-07-29 EP disclosed
US-5717100-A Substituted imidazoles having anti-cancer and cytokine inhibitory activity MERCK & CO., INC. (US) 1998-02-10 US disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 WO disclosed
WO-1997012876-A1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 1997-04-10 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 (5 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-20030153588-A1 Imidazol derivatives as raf kinase inhibitors RAF1, BRAF, ARAF MEN1 2970/4885KMT2A 1681/4885KDM4E 2417/4885
US-20040102360-A1 Combination therapy MTOR, AKT2, PLK1 MEN1 720/4885KMT2A 1485/4885KDM4E 2180/4885
US-20060122207-A1 Imidazol derivatives as Raf kinase inhibitors RAF1, BRAF, ARAF MEN1 2229/4885KMT2A 2021/4885KDM4E 2709/4885
US-20060142178-A1 Method of treating cancer PACSIN2, CTTN, TNK2 MEN1 1768/4885KMT2A 1766/4885KDM4E 2137/4885
US-20030134837-A1 Imidazol-2-carboxamide derivatives as raf kinase inhibitors BRAF, RAF1, ARAF MEN1 2375/4885KMT2A 1156/4885KDM4E 1565/4885

“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.