SCHEMBL5227753

SCHEMBL5227753

CCOC(=O)C1CCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN3)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDK2 Q15119 1/20 0.38
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
PTPN11 Q06124 1/20 0.34

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
SCHEMBL5230451 0.93 HSD17B10 (0.38) TACR1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL5233229 0.87 TACR1 (0.42) TACR1
SCHEMBL5228816 0.87 TACR1 (0.40) TACR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL5225571 0.87 TACR1 (0.40) TACR1
SCHEMBL5226991 0.86 TACR1 (0.40) TACR1
SCHEMBL5228486 0.86 TACR1 (0.44) TACR1TSHR
SCHEMBL5225834 0.86 TACR1 (0.44) TACR1
SCHEMBL5232458 0.85 TACR1 (0.40) TACR1KMT2AMEN1KDM4ETSHR
SCHEMBL5228863 0.85 TACR1 (0.38) TACR1KMT2ATSHR
SCHEMBL5232346 0.84 TACR1 (0.42) TACR1ALDH1A1KDM4EMAPT

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
EP-1496059-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2007-08-15 EP disclosed
US-7064119-B2 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2006-06-20 US disclosed
US-20050159409-A1 Fused bicyclic pyrimidine derivatives KYORIN PHARMACEUTICAL CO. LTD. (JP) 2005-07-21 US disclosed
EP-1496059-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2005-01-12 EP 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-20050159409-A1 Fused bicyclic pyrimidine derivatives BDKRB1, BDKRB2, TACR1 TACR1 3/4885KMT2A 1383/4885MEN1 770/4885

“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.