SCHEMBL12190876

SCHEMBL12190876

COc1cc(-c2cncc(C(=O)NCCO)c2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.59
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.44
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL12190879 0.84 FYN (0.56) FYNMAPK1KDM1AHDAC1
SCHEMBL4640360 0.78 CYP1A1 (0.49) FYNPOLBL3MBTL1BRD4
SCHEMBL7652997 0.76 KDM4E (0.59) SMN1; SMN2POLBNPC1
SCHEMBL4116440 0.75 CYP2C9 (0.55) KMT2AMEN1MAPTL3MBTL1NPC1
SCHEMBL30521730 0.74 FYN (1.00) FYN
SCHEMBL18613388 0.74 FYN (1.00) FYN
SCHEMBL5418318 0.74 CYP1A2 (0.47) FYNKMT2ASMN1; SMN2MAPK1LMNA
SCHEMBL12190878 0.74 SMN1; SMN2 (0.63) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL12190880 0.74 TAS1R3 (0.55) KMT2AMEN1MAPTPOLBL3MBTL1
SCHEMBL12190862 0.74 THRB (0.54) KMT2AMEN1MAPTSMN1; SMN2NPC1

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-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 FYN 291/4885KMT2A 1738/4885MEN1 1147/4885

“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.