SCHEMBL4153937

SCHEMBL4153937

NC(=O)c1c([CH]Cc2ccccc2)ccnc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.37
NTRK1 P04629 1/20 0.37
PIM1 P11309 1/20 0.37
CDC7 O00311 4/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPK1 P28482 1/20 0.36
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35
NR3C2 P08235 1/20 0.35
TEK Q02763 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BTK Q06187 3/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL15327832 0.80 CDC7 (0.46) GAAMEN1KMT2APOLBNTRK1
SCHEMBL4803391 0.76 BCAT2 (0.37) GAAMEN1KMT2ANTRK1PIM1
SCHEMBL27567534 0.75 MEN1 (0.41) GAAMEN1KMT2APOLBNTRK1
SCHEMBL14917460 0.73 MEN1 (0.47) GAAMEN1KMT2APOLBNTRK1
SCHEMBL1533663 0.73 MEN1 (0.48) GAAMEN1KMT2APOLBNTRK1
SCHEMBL27907482 0.72 MEN1 (0.54) GAAMEN1KMT2APOLBNTRK1
SCHEMBL27514880 0.72 MEN1 (0.46) GAAMEN1KMT2APOLBNTRK1
SCHEMBL4138010 0.70 PARP1 (0.43) NTRK1PIM1CDC7CDK2MAPK1
SCHEMBL4800593 0.69 THRB (0.41) MEN1KMT2ACDC7CCNE1CDK2
SCHEMBL25229271 0.69 MEN1 (0.47) GAAMEN1KMT2APOLBNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 US claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
US-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL -MEYERS SQUIBB COMPANY 2009-07-16 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 (1 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-20090181983-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS TFPI, F11, F12 GAA 3486/4885MEN1 764/4885KMT2A 2045/4885

“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.