SCHEMBL1774473

SCHEMBL1774473

CN1CC[C@@H](Nc2cc(NCCC(C)(C)C)ncn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 17/20 1.00
HRH3 Q9Y5N1 5/20 0.63
HRH2 P25021 2/20 0.63
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
IL1B P01584 2/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL1775760 1.00 HRH4 (1.00) HRH4HRH3HRH2PRMT5WDR77
SCHEMBL1774588 1.00 HRH4 (1.00) HRH4HRH3HRH2PRMT5WDR77
SCHEMBL1774378 0.93 HRH4 (0.87) HRH4HRH3HRH2IL1BNLRP3
SCHEMBL1775451 0.93 HRH4 (0.86) HRH4HRH3HRH2PRMT5WDR77
SCHEMBL1773531 0.80 HRH4 (0.69) HRH4HRH3HRH2
SCHEMBL1775084 0.80 HRH4 (0.69) HRH4HRH3HRH2
SCHEMBL18672879 0.78 HRH4 (0.64) HRH4HRH3HRH2PRMT5WDR77
SCHEMBL1775487 0.78 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1774042 0.78 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1775292 0.78 HRH4 (1.00) HRH4HRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US disclosed
US-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 US 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885HRH3 187/4885HRH2 257/4885

“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.