SCHEMBL5230451

SCHEMBL5230451

CCOC(=O)C1CCCN(c2nc3c(c(-c4ccccc4C)n2)C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN3)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
IGF1R P08069 2/20 0.37
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TACR1 P25103 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
APAF1 O14727 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
MMP13 P45452 1/20 0.35
CASP7 P55210 1/20 0.35
PLAUR Q03405 1/20 0.35

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
SCHEMBL5227753 0.93 TACR1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1TACR1
SCHEMBL5228863 0.84 TACR1 (0.38) KMT2ATACR1TSHRITGB2ICAM1
SCHEMBL5233229 0.83 TACR1 (0.42) TACR1
SCHEMBL5228486 0.83 TACR1 (0.44) TACR1HPGDTSHR
SCHEMBL5228816 0.83 TACR1 (0.40) ALDH1A1KMT2AMEN1TACR1TSHR
SCHEMBL5225834 0.83 TACR1 (0.44) TACR1CASP1
SCHEMBL5227311 0.82 TACR1 (0.42) TACR1HPGDTSHRCASP1
SCHEMBL5225571 0.82 TACR1 (0.40) TACR1CASP1
SCHEMBL5232458 0.82 TACR1 (0.40) HSD17B10TDP1KMT2AMEN1TACR1
SCHEMBL5226991 0.82 TACR1 (0.40) TACR1

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 5 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
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 HSD17B10 4447/4885TDP1 3526/4885IGF1R 1695/4885

“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.