SCHEMBL10272997

SCHEMBL10272997

CCc1cc(-c2cnn(C)c2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.43
FLT3 P36888 2/20 0.43
ALK Q9UM73 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
ACVR1 Q04771 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
TPX2 Q9ULW0 1/20 0.41
TTK P33981 2/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
PDPK1 O15530 1/20 0.40
ABL1 P00519 1/20 0.40
PDGFRA P16234 1/20 0.40
CSK P41240 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
SCHEMBL18115811 0.86 LOXL2 (0.50) DYRK1AFLT3ALKLOXL2ACVR1
Hydrochloric Acid SCHEMBL29779091 0.84 LOXL2 (0.49) DYRK1AFLT3ALKLOXL2ACVR1
SCHEMBL31555358 0.80 CYP1A2 (0.52) PIK3CASREBF1SREBF2
SCHEMBL14970159 0.78 ADORA2A (0.54) DYRK1AFLT3ALKLOXL2ACVR1
SCHEMBL29183410 0.77 AXL (0.46) DYRK1AFLT3ALKLOXL2ACVR1
SCHEMBL17212043 0.77 MAPT (0.45) FLT3LOXL2ACVR1PIK3CDPIK3CA
SCHEMBL31107039 0.77 DYRK1A (0.46) DYRK1AFLT3ALKACVR1AURKA
SCHEMBL25619525 0.77 DYRK1A (0.49) DYRK1AFLT3ALKLOXL2ACVR1
SCHEMBL14947690 0.77 DYRK1A (0.46) DYRK1AFLT3ALKACVR1AURKA
SCHEMBL24921182 0.74 ACVR2A (0.59) TTKLRRK2TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 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 (3 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885FLT3 3104/4885ALK 2820/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 DYRK1A 2904/4885FLT3 3104/4885ALK 2820/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 DYRK1A 3347/4885FLT3 1822/4885ALK 1651/4885

“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.