SCHEMBL6329947

SCHEMBL6329947

O=C(NCc1ccccc1)c1cnc(Nc2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.60
MAPK13 O15264 5/20 0.60
MAPK12 P53778 5/20 0.60
MAPK11 Q15759 5/20 0.60
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NAMPT P43490 1/20 0.50
LMNA P02545 1/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48

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
SCHEMBL3584763 0.83 KDR (0.57) HPGDALDH1A1RAB9ANPC1MAPT
SCHEMBL11650826 0.80 HPGD (0.55) HPGDSMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL4252563 0.79 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL12788248 0.79 PPARA (0.69) HPGDSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3817565 0.79 CSNK2A2 (0.53) HPGDSMN1; SMN2RAB9ALMNAHDAC3
SCHEMBL8283721 0.77 PPARA (0.52) SMN1; SMN2ALDH1A1MEN1KMT2ANAMPT
SCHEMBL24498387 0.77 HPGDS (0.49) HPGDALDH1A1KMT2AHDAC3HDAC4
SCHEMBL3585085 0.76 CCNE1 (0.65) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL18529252 0.75 ATG4B (0.60) NAMPT
SCHEMBL1657000 0.75 GRM5 (0.54) HPGDHDAC3HDAC4HDAC1HDAC6

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-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAPK14 161/4885MAPK13 175/4885MAPK12 119/4885

“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.