SCHEMBL10041280

SCHEMBL10041280

CC(C)(C)c1nc2ccccc2n1-c1cc(C(F)(F)F)cc(-n2c(C(C)(C)C)nc3ccccc32)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.41
TSHR P16473 3/20 0.40
GSR P00390 3/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
GLA P06280 1/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2C9 P11712 1/20 0.36
PIK3CB P42338 1/20 0.36
KLK7 P49862 1/20 0.36

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
SCHEMBL10041282 0.86 SLC22A12 (0.41) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL10041278 0.84 TSHR (0.41) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL10041276 0.79 GSR (0.52) MAPK1TSHRGSRALDH1A1MAPT
SCHEMBL10041277 0.75 MAPK1 (0.48) MAPK1TSHRALDH1A1MAPTHPGD
SCHEMBL23840293 0.74 ADORA2A (0.40) MAPK1TSHRALDH1A1GAAMAPT
SCHEMBL63683 0.73 SLC22A12 (0.46) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL12679893 0.71 KDM4E (0.40) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL10041284 0.71 MAPK1 (0.53) MAPK1TSHRGSRALDH1A1HPGD
SCHEMBL10041279 0.71 SLC22A12 (0.39) MAPK1TSHRALDH1A1GAAKMT2A
SCHEMBL14124486 0.70 TSHR (0.45) MAPK1TSHRALDH1A1GAAMAPT

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-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-8147987-B2 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2012-04-03 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 US disclosed
US-20070202357-A1 Organic electroluminescent element and compounds for use in the element FUJIFILM CORPORATION (JP) 2007-08-30 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-20070202357-A1 Organic electroluminescent element and compounds for use in the element RPL31, RPL38, RPL39 MAPK1 1465/4885TSHR 1844/4885GSR 2347/4885

“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.