SCHEMBL10043841

SCHEMBL10043841

Cc1cc2c(cn1)cc(-c1cc(NC(=O)NCc3ccccc3F)ccc1C)c(=O)n2C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
IDH1 O75874 1/20 0.45
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
SYK P43405 1/20 0.42
CDK8 P49336 1/20 0.41
MEN1 O00255 2/20 0.41
RAF1 P04049 3/20 0.40
BRAF P15056 3/20 0.40
KRAS P01116 2/20 0.40
NAMPT P43490 2/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK14 Q16539 2/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
MAP2K1 Q02750 1/20 0.38

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
SCHEMBL10043826 0.88 MAPK1 (0.45) KMT2AMAPK1RAB9ASYKMEN1
SCHEMBL10043836 0.86 MAPT (0.46) KMT2AMAPK1RAB9AMEN1RAF1
SCHEMBL501986 0.85 NPC1 (0.47) KMT2AIDH1MAPK1RAB9ASYK
SCHEMBL10043821 0.84 SYK (0.49) KMT2AMAPK1RAB9ASYKMEN1
SCHEMBL10043842 0.83 RAB9A (0.48) KMT2AIDH1MAPK1RAB9AMEN1
SCHEMBL10043828 0.82 RAB9A (0.48) RAB9ASYKRAF1BRAFKRAS
SCHEMBL10043843 0.81 MEN1 (0.53) KMT2AMAPK1RAB9AMEN1RAF1
SCHEMBL10043840 0.81 MEN1 (0.55) KMT2AMAPK1RAB9AMEN1
SCHEMBL10043845 0.80 SYK (0.45) SYKCDK8RAF1BRAFKIT
SCHEMBL10043850 0.80 SYK (0.50) KMT2ARAB9ASYKMEN1RAF1

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
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 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-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC KMT2A 1257/4885IDH1 3090/4885MAPK1 71/4885
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC KMT2A 1257/4885IDH1 3090/4885MAPK1 71/4885

“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.