SCHEMBL12434112

SCHEMBL12434112

COCc1cc(C#N)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.43
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SYK P43405 1/20 0.39
AURKB Q96GD4 1/20 0.39
INCENP Q9NQS7 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
GAK O14976 2/20 0.37
RIPK2 O43353 2/20 0.37
COQ8A Q8NI60 2/20 0.37
NLK Q9UBE8 2/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
GRM5 P41594 3/20 0.37
CLK4 Q9HAZ1 1/20 0.36
PDE5A O76074 1/20 0.36
FFAR1 O14842 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL16318991 0.87 MBOAT4 (0.40) MBOAT4HCRTR1HCRTR2SYKAURKB
SCHEMBL22637777 0.83 MBOAT4 (0.39) MBOAT4HCRTR1HCRTR2EGLN2GAK
SCHEMBL22637846 0.83 MBOAT4 (0.44) MBOAT4HCRTR1HCRTR2SYKAURKB
SCHEMBL4386116 0.82 MBOAT4 (0.43) MBOAT4SYKAURKBINCENPGAK
SCHEMBL29478742 0.81 MBOAT4 (0.41) MBOAT4SYKAURKBINCENPGAK
SCHEMBL21290713 0.81 MBOAT4 (0.41) MBOAT4SYKAURKBINCENPGAK
SCHEMBL3242600 0.79 CYP1A2 (0.44) MBOAT4GRM5CLK4
SCHEMBL7284093 0.79 MBOAT4 (0.39) MBOAT4HCRTR1HCRTR2SYKAURKB
SCHEMBL8271989 0.79 MBOAT4 (0.39) MBOAT4HCRTR1HCRTR2SYKAURKB
SCHEMBL1877368 0.79 MBOAT4 (0.42) MBOAT4HCRTR1HCRTR2SYKAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2022-08-18 US disclosed
EP-3962481-A1 KCNT1 INHIBITORS AND METHODS OF USE Praxis Precision Medicines, Inc. (US) 2022-03-09 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
WO-2020227101-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. (US) 2020-11-12 WO disclosed
US-9394264-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2016-07-19 US disclosed
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2015-10-22 US disclosed
US-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS, INC. (US) 2013-08-01 US disclosed
US-8357706-B2 Sphingosine 1 phosphate receptor modulators and methods of chiral synthesis RECEPTOS, INC. (US) 2013-01-22 US disclosed
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS RECEPTOS LLC 2011-07-21 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-20130196966-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 MBOAT4 2901/4885HCRTR1 233/4885HCRTR2 244/4885
US-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 MBOAT4 3765/4885HCRTR1 3674/4885HCRTR2 3725/4885
US-20150299150-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 MBOAT4 2901/4885HCRTR1 233/4885HCRTR2 244/4885
US-20110178056-A1 SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS S1PR1, S1PR3, S1PR2 MBOAT4 2902/4885HCRTR1 234/4885HCRTR2 245/4885
US-20220259193-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 MBOAT4 1963/4885HCRTR1 982/4885HCRTR2 751/4885

“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.