SCHEMBL4939072

SCHEMBL4939072

CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2ncnc3c2oc2ccc(C(F)(F)F)cc23)C1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.62
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TSHR P16473 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
PDE10A Q9Y233 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
JAK3 P52333 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
SCHEMBL4937741 1.00 HRH4 (0.62) HRH4JAK2JAK1TSHRKDM4E
SCHEMBL4594434 0.90 HRH4 (0.58) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL4938508 0.90 HRH4 (0.58) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL14026555 0.90 HRH4 (0.58) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL4595389 0.89 HRH4 (0.71) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL4594740 0.89 HRH4 (0.71) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL4594741 0.89 HRH4 (0.71) HRH4TSHRKDM4EMAPTHSD17B10
SCHEMBL4594232 0.89 HRH4 (0.67) HRH4JAK2JAK1TSHRKDM4E
SCHEMBL4594662 0.89 HRH4 (0.67) HRH4JAK2JAK1TSHRKDM4E
SCHEMBL4594062 0.82 HRH4 (0.62) HRH4TSHRKDM4EMAPTHSD17B10

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 4 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
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 1/4885JAK2 896/4885JAK1 1245/4885

“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.