SCHEMBL4594004

SCHEMBL4594004

Cc1ccc2oc3c(Cl)ncnc3c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
LMNA P02545 2/20 0.71
KMT2A Q03164 1/20 0.71
GPR55 Q9Y2T6 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 2/20 0.51
HRH4 Q9H3N8 10/20 0.49
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
CASP3 P42574 1/20 0.46
RAB9A P51151 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
MAPT P10636 2/20 0.43
CDC7 O00311 1/20 0.42
DYRK3 O43781 1/20 0.42

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
SCHEMBL4594832 0.83 ALDH1A1 (1.00) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL18496512 0.80 ALDH1A1 (0.71) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL4539658 0.77 SMN1; SMN2 (1.00) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL29989707 0.77 SMN1; SMN2 (1.00) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL23610616 0.76 SMN1; SMN2 (0.67) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL4593656 0.76 ALDH1A1 (0.65) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL27164742 0.75 SMN1; SMN2 (0.74) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL14548000 0.75 HRH4 (0.66) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL31110303 0.74 SMN1; SMN2 (0.63) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2
SCHEMBL24056130 0.74 SMN1; SMN2 (0.63) ALDH1A1LMNAKMT2AGPR55SMN1; SMN2

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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 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 (1 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 ALDH1A1 1823/4885LMNA 4565/4885KMT2A 1030/4885

“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.