SCHEMBL17174248

SCHEMBL17174248

Cc1ccc2nccn2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.47
ROCK1 Q13464 2/20 0.47
LIMK1 P53667 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
FLT1 P17948 1/20 0.47
CDK9 P50750 1/20 0.47
DYRK1A Q13627 4/20 0.40
KDR P35968 2/20 0.40
MAP2K1 Q02750 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
CHEK1 O14757 1/20 0.40
MAP4K4 O95819 1/20 0.40
CSF1R P07333 1/20 0.40
PRKACA P17612 1/20 0.40
ACVR1 Q04771 1/20 0.40
MAP4K2 Q12851 1/20 0.40
AURKB Q96GD4 1/20 0.40
DRD1 P21728 6/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL13676390 0.79 CDK8 (0.45) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL15688353 0.79 CDK8 (0.45) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL15688160 0.79 CDK8 (0.45) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL27385858 0.79 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL19510399 0.79 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL5572841 0.79 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL3187668 0.79 CDK8 (0.41) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL12618988 0.79 PDE4A (0.39) CDK8ROCK1LIMK1CLK4FLT1
Hydrochloric Acid SCHEMBL1795034 0.77 CYP3A4 (0.40) CDK8ROCK1LIMK1CLK4FLT1
SCHEMBL17812868 0.76 CDK8 (0.39) CDK8ROCK1LIMK1CLK4FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
EP-3239150-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-02-05 EP disclosed
US-10202376-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-02-12 US disclosed
US-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2018-07-19 US disclosed
US-20170362223-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-21 US disclosed
US-9809587-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-11-07 US disclosed
EP-3239150-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-11-01 EP disclosed
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-09-21 US disclosed
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER INC. (US) 2017-06-15 US disclosed
US-9617275-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-04-11 US disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands PFIZER (US) 2015-10-15 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 (7 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-20180200253-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands COMT, DRD2, NR3C1 CDK8 922/4885ROCK1 2169/4885LIMK1 2539/4885
US-20150291625-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, ADRA1D, ADRB1 CDK8 2257/4885ROCK1 1439/4885LIMK1 1241/4885
US-10202376-B2 Heterocyclic compound GRIN2A, GRIN1, GRIN2B CDK8 1089/4885ROCK1 4378/4885LIMK1 2244/4885
US-20170165270-A1 Heteroaromatic Compounds and their Use as Dopamine D1 Ligands ARRB1, DRD3, ADRB1 CDK8 1282/4885ROCK1 2365/4885LIMK1 2202/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 CDK8 1965/4885ROCK1 2999/4885LIMK1 3878/4885
US-20170362223-A1 HETEROCYCLIC COMPOUND GRIN2A, GRIN1, GRIN2B CDK8 1089/4885ROCK1 4378/4885LIMK1 2244/4885
US-20170267672-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 CDK8 3963/4885ROCK1 3639/4885LIMK1 3638/4885

“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.