SCHEMBL6000332

SCHEMBL6000332

CC(N)(c1ccccc1)c1ccncc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.47
KCNN4 O15554 1/20 0.44
NOTUM Q6P988 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL209178 0.85 KCNN4 (0.58) KCNN4TAAR1MAPK1MAPTKMT2A
Hydrochloric Acid SCHEMBL2254916 0.83 KCNN4 (0.55) KCNN4TAAR1MAPK1MAPTKMT2A
Bromide SCHEMBL6737915 0.83 KCNN4 (0.55) KCNN4TAAR1MAPK1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL27667593 0.83 KCNN4 (0.55) KCNN4TAAR1MAPK1MAPTKMT2A
SCHEMBL9203753 0.81 KCNN4 (0.70) KIF11KCNN4NOTUMMAPK1MAPT
SCHEMBL11152853 0.81 ESR1 (0.54) KIF11NOTUMTAAR1MAPKAPK2MAPK1
SCHEMBL5999494 0.81 CYP19A1 (0.50) KIF11
SCHEMBL6000288 0.80 TSHR (0.46) KIF11MAPTKMT2ATSHR
Hydrochloric Acid SCHEMBL27518112 0.79 CYP19A1 (0.49) KIF11
SCHEMBL5999690 0.79 CYP19A1 (0.45) KIF11MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2018-10-30 US disclosed
US-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2018-02-22 US disclosed
US-9434719-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH NOVARTIS AG (CH) 2016-09-06 US disclosed
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH NOVARTIS AG (CH) 2015-06-04 US disclosed
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCE, INC. (US) 2006-03-16 US disclosed
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke K AND K BIOSCIENCES, INC. 2004-04-15 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 (5 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-20180051015-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KIF11 2832/4885KCNN4 3635/4885NOTUM 4351/4885
US-20060058357-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C KIF11 3865/4885KCNN4 348/4885NOTUM 3129/4885
US-20040073039-A1 Delta2-1,2,3-triazoline anticonvulsants and their active metabolite analogues, the aminoalkylpyridines, are excitatory amino acid antagonists and antiischemic agents, useful in the treatment of cerebral ischemia resulting from stroke SIGMAR1, GRM1, GRIN2C KIF11 4130/4885KCNN4 362/4885NOTUM 3134/4885
US-20150152093-A1 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH IDH1, IDH3B, IDH3A KIF11 2832/4885KCNN4 3635/4885NOTUM 4351/4885
US-10112931-B2 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH IDH1, IDH3B, IDH3A KIF11 2832/4885KCNN4 3635/4885NOTUM 4351/4885

“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.