SCHEMBL15900089

SCHEMBL15900089

CN(C)/C(=C(/N)c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
BLM P54132 2/20 0.41
RECQL P46063 2/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
F12 P00748 1/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL21690488 0.84 MAPT (0.40) MAPTALDH1A1BLMRECQLF2
SCHEMBL3281298 0.83 ALDH1A1 (0.56) MAPTALDH1A1RECQLPKMTSHR
SCHEMBL6306447 0.76 ALDH1A1 (0.50) MAPTALDH1A1RECQLPKMHSP90AA1
SCHEMBL140664 0.75 BLM (0.48) MAPTALDH1A1BLMRECQLF2
SCHEMBL1282296 0.74 BLM (0.58) MAPTALDH1A1BLMRECQLF2
SCHEMBL38341 0.74 BLM (0.58) MAPTALDH1A1BLMRECQLF2
SCHEMBL1766180 0.74 BLM (0.58) MAPTALDH1A1BLMRECQLF2
SCHEMBL8859053 0.74 CES2 (0.43) MAPTALDH1A1L3MBTL1HIF1AKMT2A
SCHEMBL2100174 0.73 ALDH1A1 (0.46) MAPTALDH1A1RECQLPKMTSHR
SCHEMBL2276511 0.73 ALDH1A1 (0.46) MAPTALDH1A1RECQLPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694466-B1 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS (SI) 2018-10-24 EP disclosed
US-9174930-B2 Preparation of sitagliptin intermediates LEK PHARMACEUTICALS D.D. (SI) 2015-11-03 US disclosed
US-20140213810-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATES LEK PHARMACEUTICALS D.D. (SI) 2014-07-31 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-20140213810-A1 PREPARATION OF SITAGLIPTIN INTERMEDIATES DPP4, DPP3, DPP9 MAPT 3098/4885ALDH1A1 1546/4885BLM 3471/4885

“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.