SCHEMBL3594440

SCHEMBL3594440

c1ccc(Nc2ncc(Oc3ccc4c(c3)OCCO4)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.49
MAOA P21397 4/20 0.49
SYK P43405 5/20 0.44
RHOA P61586 1/20 0.42
DYRK3 O43781 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
DYRK1A Q13627 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
KDM1A O60341 1/20 0.41
APP P05067 1/20 0.41
VNN1 O95497 1/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 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
SCHEMBL3581475 0.87 SYK (0.48) MAOBSYKDYRK3PIM1CSNK2A2
SCHEMBL3608443 0.87 APP (0.58) MAOBMAOASYKAPP
SCHEMBL14753418 0.87 NPC1 (0.48) SYKAPPNPC1RAB9ASMN1; SMN2
SCHEMBL3592355 0.86 SYK (0.52) SYKAPPNPC1PKMRAB9A
SCHEMBL4552735 0.73 APP (0.53) SYKAPPNPC1PKMRAB9A
SCHEMBL3596154 0.73 KCNH2 (0.51) SYKTSHRCYP1A2CYP3A4CYP2C19
SCHEMBL657416 0.70 KDM1A (0.62) MAOBRHOAKDM1ATSHRNPC1
SCHEMBL3591217 0.69 APP (0.77) KDM1AAPP
SCHEMBL3502544 0.68 MAPT (0.61) RHOAKDM1AAPPNPC1NFKB1
SCHEMBL18415547 0.67 ALDH1A1 (0.71) MAOBMAOADYRK1ADYRK2DYRK1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES HORWELL DAVID CHRISTOPHER (GB) 2013-03-07 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
US-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2010-03-11 US disclosed
EP-2010502-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES Senexis Limited (GB) 2009-01-07 EP disclosed
WO-2007125351-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES SENEXIS LIMITED (GB) 2007-11-08 WO 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 (2 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-20100063077-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT MAOB 313/4885MAOA 677/4885SYK 3311/4885
US-20130059871-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF AMYLOID-RELATED DISEASES TYMP, APP, HTT MAOB 313/4885MAOA 677/4885SYK 3311/4885

“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.