SCHEMBL3376548

SCHEMBL3376548

NC(=O)c1ccc(I)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ATM Q13315 1/20 0.46
MAP2K1 Q02750 2/20 0.43
MAP2K2 P36507 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA13 Q8N1Q1 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ADRA1D P25100 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL1786179 0.83 ALDH1A1 (0.50) KMT2AATMMAP2K1MAP2K2CA12
SCHEMBL1164647 0.81 TSHR (0.42) KMT2AMAP2K1SMN1; SMN2TSHRCASP1
SCHEMBL1820547 0.81 TSHR (0.63) MAP2K1MAP2K2CA12CA1CA2
SCHEMBL30870730 0.79 PLAU (0.43) KMT2AMKNK1MKNK2MAP2K1MAP2K2
SCHEMBL27442879 0.79 PLAU (0.43) KMT2AMKNK1MKNK2MAP2K1MAP2K2
SCHEMBL7127279 0.79 MAP2K1 (0.41) KMT2AMAP2K1SMN1; SMN2TSHRCASP1
SCHEMBL325007 0.78 SMN1; SMN2 (0.65) KMT2AMKNK1MKNK2SMN1; SMN2TSHR
SCHEMBL29506761 0.78 SMN1; SMN2 (0.65) KMT2AMKNK1MKNK2SMN1; SMN2TSHR
SCHEMBL31396647 0.77 ALDH1A1 (0.50) MKNK1MKNK2MAP2K1MAP2K2CA12
SCHEMBL167586 0.77 MAP2K2 (0.44) KMT2AATMMAP2K1MAP2K2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718279-B1 NOVEL COMPOUNDS AS MODULATORS OF GPR-119 RHIZEN PHARMACEUTICALS SA (CH) 2016-08-10 EP disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 US disclosed
EP-1989186-A1 HYDANTOIN BASED KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-12 EP disclosed
WO-2008101840-A1 COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-28 WO disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
WO-2007096259-A1 HYDANTOIN BASED KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-30 WO disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 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 (2 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF KMT2A 179/4885MKNK1 617/4885MKNK2 682/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC KMT2A 1913/4885MKNK1 148/4885MKNK2 175/4885

“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.