SCHEMBL3735937

SCHEMBL3735937

COc1ccc(Cn2nnnc2CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.64
PKM P14618 1/20 0.64
TSHR P16473 3/20 0.59
GAA P10253 3/20 0.59
ALOX15 P16050 2/20 0.59
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 3/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49
HTT P42858 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TOP2A P11388 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL25218986 0.88 ALDH1A1 (0.62) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL7148471 0.86 ALDH1A1 (0.62) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL1783911 0.85 ALDH1A1 (0.61) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL15796733 0.85 ALDH1A1 (0.58) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL6501472 0.83 ALDH1A1 (0.59) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL24033865 0.83 ALDH1A1 (0.59) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL4784872 0.80 CYP11B1 (0.54) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL19732308 0.80 ALDH1A1 (0.54) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL7684043 0.80 ALDH1A1 (0.54) ALDH1A1PKMTSHRGAAALOX15
SCHEMBL1768224 0.80 ALDH1A1 (0.54) ALDH1A1PKMTSHRGAAALOX15

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-7829580-B2 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2010-11-09 US disclosed
CN-1910151-A Cyclic amine derivative with heteroaryl ring SANKYO CO (JP) 2007-02-07 CN disclosed
US-20060270706-A1 Cyclic amine derivative having heteroaryl ring SANKYO COMPANY, LTD. (JP) 2006-11-30 US disclosed
EP-1695962-A1 CYCLIC AMINE DERIVATIVE HAVING HETEROARYL RING Sankyo Company, Limited (JP) 2006-08-30 EP 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-20060270706-A1 Cyclic amine derivative having heteroaryl ring F12, F2, H1-3 ALDH1A1 1073/4885PKM 3626/4885TSHR 427/4885

“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.