SCHEMBL3379668

SCHEMBL3379668

C#Cc1ccc(C(N)=O)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
PARP1 P09874 1/20 0.42
ATM Q13315 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL1786472 0.85 ALDH1A1 (0.46) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL31310492 0.83 MEN1 (0.47) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL28869089 0.83 TSHR (0.57) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL4896547 0.81 CASP1 (0.51) KMT2ANPC1RAB9AMKNK1MKNK2
Hydrochloric Acid SCHEMBL5900879 0.80 CASP1 (0.50) KMT2AMKNK1MKNK2PARP1ATM
SCHEMBL18163775 0.79 ALDH1A1 (0.45) TDP1MKNK1MKNK2PARP1CA12
SCHEMBL17529586 0.78 PARP1 (0.42) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL2333339 0.77 ABL1 (0.46) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL28050736 0.75 PARP1 (0.38) KMT2ANPC1RAB9AMEN1TDP1
SCHEMBL12478779 0.74 MAP2K2 (0.42) KMT2AMEN1TDP1PARP1MAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP 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 179/4885NPC1 2469/4885RAB9A 707/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC KMT2A 1913/4885NPC1 3225/4885RAB9A 1433/4885

“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.