SCHEMBL10034545

SCHEMBL10034545

CC(C)(C)c1ccc(Nc2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.59
RAD52 P43351 1/20 0.54
FLT1 P17948 3/20 0.49
KDR P35968 3/20 0.49
PDGFRB P09619 1/20 0.49
KIT P10721 1/20 0.49
LMNA P02545 4/20 0.49
POLB P06746 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGIR P43119 1/20 0.44
MAPK14 Q16539 1/20 0.43
MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL2392625 0.86 TSHR (0.52) KIF11LMNAMAPTMAPK1HTT
SCHEMBL49741 0.86 TSHR (0.52) KIF11LMNAMAPTMAPK1HTT
SCHEMBL6421472 0.80 KIF11 (0.58) KIF11RAD52PTGIR
SCHEMBL2957181 0.79 KIF11 (0.57) KIF11LMNAMAPTMAPK1HTT
SCHEMBL13321302 0.79 KIF11 (0.57) KIF11LMNAMAPTMAPK1HTT
SCHEMBL5396983 0.79 TSHR (0.46) KIF11LMNAMAPTMAPK1HTT
SCHEMBL22432523 0.79 TSHR (0.46) KIF11LMNAMAPTHPGDMAPK1
SCHEMBL16473180 0.79 NAMPT (0.61) KIF11LMNAPOLBMAPTHTT
SCHEMBL14005522 0.79 XDH (0.42) KIF11RAD52FLT1KDRLMNA
SCHEMBL28309605 0.79 KIF11 (0.59) KIF11FLT1KDRPDGFRBKIT

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-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-09 US disclosed
WO-2012008526-A1 PYRIDINE COMPOUND AND PEST-CONTROL USAGE THEREFOR 住友化学株式会社 (JP) 2012-01-19 WO 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-20140011998-A1 DERIVATIVES OF 1-AMINO-2-CYCLOPROPYLETHYLBORONIC ACID PSMB6, PSMB5, PSMB1 KIF11 3019/4885RAD52 3533/4885FLT1 4769/4885

“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.