SCHEMBL12190861

SCHEMBL12190861

COc1ccc(NC(=O)c2cncc(-c3cccnc3)c2)c(OC)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.79
POLB P06746 1/20 0.79
TSHR P16473 1/20 0.79
IRAK4 Q9NWZ3 1/20 0.64
ABCB1 P08183 5/20 0.61
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 1/20 0.59
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP1B1 Q16678 1/20 0.57
MAPT P10636 3/20 0.57
NPC1 O15118 2/20 0.56
ABL1 P00519 1/20 0.56
OPRM1 P35372 1/20 0.56
KCNH2 Q12809 1/20 0.56
ABCC1 P33527 1/20 0.56
KMT2A Q03164 1/20 0.56
HKDC1 Q2TB90 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL12190872 0.90 SMN1; SMN2 (0.66) SMN1; SMN2POLBTSHRIRAK4ALDH1A1
SCHEMBL12190906 0.85 SMN1; SMN2 (0.63) SMN1; SMN2POLBTSHRIRAK4ALDH1A1
SCHEMBL12190878 0.85 SMN1; SMN2 (0.63) SMN1; SMN2POLBTSHRIRAK4ABCB1
SCHEMBL12191082 0.84 SMN1; SMN2 (0.61) SMN1; SMN2POLBTSHRABCB1ALDH1A1
SCHEMBL12190924 0.83 SMN1; SMN2 (0.60) SMN1; SMN2POLBTSHRALDH1A1NPSR1
SCHEMBL12191018 0.82 KDM4E (0.62) SMN1; SMN2POLBTSHRIRAK4ABCB1
SCHEMBL12190982 0.79 POLB (0.55) SMN1; SMN2POLBTSHRABCB1ALDH1A1
SCHEMBL12190949 0.79 SMN1; SMN2 (0.57) SMN1; SMN2POLBTSHRIRAK4ALDH1A1
SCHEMBL11196639 0.79 SMN1; SMN2 (0.81) SMN1; SMN2POLBTSHRALDH1A1NPSR1
SCHEMBL28793944 0.79 MAPT (0.64) IRAK4NPSR1MAPTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569907-B1 NICOTINAMIDE-BASED KINASE INHIBITORS YM BIOSCIENCES AUSTRALIA PTY (AU) 2016-03-09 EP disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-8030336-B2 Nicotinamide-based kinase inhibitors YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2011-10-04 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 US disclosed
US-20070060619-A1 Nicotinamide-based kinase inhibitors CYTOPIA PTY LTD (AU) 2007-03-15 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-20070060619-A1 Nicotinamide-based kinase inhibitors NADK, NAMPT, PDXK SMN1; SMN2 1424/4885POLB 1869/4885TSHR 3114/4885

“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.