SCHEMBL5230386

SCHEMBL5230386

COc1ccccc1-c1nc(N2CCN(C(C)=O)CC2)nc2c1C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCN2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
MAPK1 P28482 2/20 0.37
AGER Q15109 2/20 0.37
P2RX3 P56373 2/20 0.37
TACR1 P25103 3/20 0.36
TP53 P04637 1/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 3/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL5228486 0.91 TACR1 (0.44) HPGDP2RX3TACR1TSHRUSP2
SCHEMBL5227311 0.89 TACR1 (0.42) HPGDP2RX3TACR1TSHRUSP2
SCHEMBL5231442 0.89 ALDH1A1 (0.39) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL5232522 0.88 MET (0.40) HPGDP2RX3TACR1TSHRMEN1
SCHEMBL5230370 0.87 TACR1 (0.45) HPGDP2RX3TACR1TSHRUSP2
SCHEMBL5226289 0.86 P2RX3 (0.39) HPGDP2RX3TACR1TSHRUSP2
SCHEMBL5236630 0.84 TACR1 (0.37) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL5231461 0.82 HPGD (0.42) ALDH1A1HPGDMAPTKDM4EL3MBTL1
SCHEMBL5225834 0.82 TACR1 (0.44) TACR1
SCHEMBL5232346 0.80 TACR1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1MAPK1

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 ALDH1A1 1993/4885HPGD 1918/4885MAPT 4611/4885

“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.