SCHEMBL2320940

SCHEMBL2320940

COCCNc1ncc(Br)nc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
LDHA P00338 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 3/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
HCAR3 P49019 1/20 0.37
KCNH3 Q9ULD8 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
ULK1 O75385 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 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
SCHEMBL6825411 0.82 PDE10A (0.46) PDE10ALDHALMNAHTTCYP3A4
SCHEMBL16516615 0.80 HCAR3 (0.48) PDE10ALDHALMNAHTTCYP3A4
SCHEMBL16506284 0.79 ALDH1A1 (0.44) PDE10ALDHALMNAHTTALDH1A1
SCHEMBL1367730 0.78 LMNA (0.37) LMNAHTTALDH1A1HSD17B10TSHR
SCHEMBL2323296 0.77 KDM4E (0.43) LMNAHTTCYP3A4ALDH1A1HSD17B10
SCHEMBL27713561 0.77 UTS2R (0.44) PDE10ALDHALMNAHTTCYP3A4
SCHEMBL15003295 0.77 PGK1 (0.45) PDE10AKDM4EMAPK1
SCHEMBL481978 0.74 PPARG (0.39) LMNAALDH1A1TSHRKDM4ENPC1
SCHEMBL24284200 0.72 HCAR3 (0.49) LDHALMNAHTTCYP3A4ALDH1A1
SCHEMBL16186772 0.72 CCR4 (0.34) TSHR

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
EP-1830853-B1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES NOVARTIS AG (CH) 2011-08-10 EP disclosed
US-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2010-08-26 US disclosed
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ALCON, INC. (CH) 2008-10-30 US disclosed
EP-1830853-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES ALCON INC. (CH) 2007-09-12 EP disclosed
WO-2006071548-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES ALCON, INC. (CH) 2006-07-06 WO disclosed
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ALCON, INC. 2006-06-29 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-20100216777-A1 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA PDE10A 278/4885LDHA 4508/4885LMNA 3550/4885
US-20080269249-A2 AMINOPYRAZINE ANALOGS FOR TREATING GLAUCOMA AND OTHER RHO KINASE-MEDIATED DISEASES AND CONDITIONS ROCK2, ROCK1, RHOA PDE10A 278/4885LDHA 4508/4885LMNA 3550/4885
US-20060142307-A1 Aminopyrazine analogs for treating glaucoma and other rho kinase-mediated diseases and conditions ROCK2, ROCK1, RHOA PDE10A 278/4885LDHA 4508/4885LMNA 3550/4885

“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.