SCHEMBL13329937

SCHEMBL13329937

FC(F)(F)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.64
ALDH1A1 P00352 10/20 0.64
KDM4E B2RXH2 9/20 0.64
MAPT P10636 9/20 0.64
HPGD P15428 8/20 0.64
SMN1; SMN2 Q16637 6/20 0.64
TDP1 Q9NUW8 5/20 0.64
HTT P42858 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 1/20 0.64
NPSR1 Q6W5P4 1/20 0.64
KIT P10721 2/20 0.60
FLT3 P36888 2/20 0.60
NPC1 O15118 11/20 0.57
GAA P10253 5/20 0.57
GFER P55789 1/20 0.57
LMNA P02545 5/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL13329875 0.87 KIT (0.56) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL13305000 0.83 RAB9A (0.67) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL768561 0.80 RAB9A (0.76) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL769090 0.77 KIT (0.77) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL769665 0.77 RAB9A (0.71) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL30530543 0.76 KDM1A (0.56) MEN1KMT2AKITFLT3CYP1A2
SCHEMBL28599146 0.74 MAPT (0.66) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL16656626 0.73 RAB9A (0.66) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL13305110 0.72 KDM4E (1.00) RAB9AALDH1A1KDM4EMAPTHPGD
SCHEMBL13305095 0.72 ALDH1A1 (1.00) RAB9AALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012217-B2 Benzimidazole compounds differentiate a mammalian stem cell into mesodermal or cardiomyocyte cells BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2015-04-21 US disclosed
US-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-06-24 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 (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-20100159596-A1 SMALL MOLECULE COMPOUNDS FOR STEM CELL DIFFERENTIATION RCOR3, BRD3, BRPF3 RAB9A 1619/4885ALDH1A1 454/4885KDM4E 2848/4885

“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.