SCHEMBL14026552

SCHEMBL14026552

CN(C)C1CCN(c2ncnc3c2oc2ccc(Cl)cc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 19/20 1.00
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL603431 1.00 HRH4 (1.00) HRH4KDM4EMAPTTSHRALOX12
SCHEMBL604737 0.91 HRH4 (0.84) HRH4KDM4EMAPTTSHRALOX12
SCHEMBL4594885 0.88 HRH4 (0.79) HRH4KDM4EMAPTTSHRALOX12
SCHEMBL4594880 0.88 HRH4 (0.79) HRH4KDM4EMAPTTSHRALOX12
SCHEMBL4933607 0.88 HRH4 (0.79) HRH4KDM4EMAPTTSHRALOX12
SCHEMBL604823 0.85 HRH4 (0.74) HRH4MAPTTSHRHSD17B10
SCHEMBL2166354 0.85 HRH4 (0.74) HRH4MAPTTSHRHSD17B10
SCHEMBL602764 0.85 HRH4 (0.74) HRH4
SCHEMBL604122 0.85 HRH4 (0.74) HRH4
SCHEMBL605566 0.84 HRH4 (1.00) HRH4KDM4EMAPTTSHRALOX12

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 3 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
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 HRH4 1/4885KDM4E 1688/4885MAPT 2439/4885

“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.