SCHEMBL4593418

SCHEMBL4593418

Cc1nc(Cl)c2oc3ccc(Cl)cc3c2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.66
MEN1 O00255 5/20 0.66
RXFP1 Q9HBX9 1/20 0.66
LMNA P02545 4/20 0.62
ALDH1A1 P00352 3/20 0.62
GPR55 Q9Y2T6 1/20 0.62
HRH4 Q9H3N8 6/20 0.61
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
PIM1 P11309 2/20 0.48
PIM3 Q86V86 2/20 0.48
PIM2 Q9P1W9 2/20 0.48
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CDC7 O00311 1/20 0.47
DYRK3 O43781 1/20 0.47
IGF1R P08069 1/20 0.47

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
SCHEMBL24846182 0.88 KMT2A (0.52) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL30117918 0.84 KMT2A (0.66) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL2494411 0.84 KMT2A (0.66) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL29850525 0.82 KMT2A (0.62) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL15304530 0.82 KMT2A (0.62) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL4573298 0.81 ALDH1A1 (0.62) KMT2ALMNAALDH1A1GPR55HRH4
SCHEMBL15766183 0.78 KMT2A (0.58) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL4593581 0.78 HRH4 (0.62) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL15766371 0.78 KMT2A (0.61) KMT2AMEN1RXFP1LMNAALDH1A1
SCHEMBL4594832 0.77 ALDH1A1 (1.00) KMT2ALMNAALDH1A1GPR55HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 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
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
EP-1812113-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS Argenta Discovery Limited (GB) 2007-08-01 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 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
EP-1767537-A1 Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-03-28 EP disclosed
WO-2006050965-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS ARGENTA DISCOVERY LTD (GB) 2006-05-18 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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 KMT2A 1030/4885MEN1 4068/4885RXFP1 3438/4885
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 KMT2A 441/4885MEN1 2632/4885RXFP1 2684/4885

“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.