SCHEMBL6497591

SCHEMBL6497591

COc1cc(-c2cc3nccn3c(Cl)n2)ccc1N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TNIK Q9UKE5 2/20 0.45
KCNH2 Q12809 1/20 0.45
SYK P43405 3/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE5A O76074 1/20 0.42
PDE6A P16499 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE3A Q14432 1/20 0.42
GAK O14976 4/20 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
SCHEMBL6497718 0.84 SYK (0.43) KDM4ECYP1A2CYP3A4CYP2C9HPGD
SCHEMBL6498098 0.83 SYK (0.52) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2553234 0.82 XDH (0.46) KDM4EHPGDSYKNPC1MAPT
SCHEMBL6503965 0.81 SYK (0.52) KDM4ECYP3A4CYP2C9TNIKKCNH2
SCHEMBL6495343 0.81 SYK (0.55) KDM4EHPGDTSHRHSD17B10SYK
SCHEMBL6505192 0.81 SYK (0.51) TNIKKCNH2SYKJAK2JAK3
SCHEMBL6640603 0.77 SYK (0.55) KDM4ESYKMAPTSMN1; SMN2JAK2
SCHEMBL6508112 0.77 SYK (0.65) SYKMAPTSMN1; SMN2JAK2MAP4K4
SCHEMBL6505524 0.76 MAP4K2 (0.76) SYKMAPTSMN1; SMN2JAK2MAP4K4
SCHEMBL6495254 0.76 MAP4K2 (0.77) SYKMAPTSMN1; SMN2JAK2MAP4K4

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
US-6911443-B2 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER AKTIENGESELLSCHAFT (DE) 2005-06-28 US disclosed
EP-1278750-B1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2004-08-04 EP disclosed
US-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-03-18 US disclosed
EP-1278750-A1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES Bayer Aktiengesellschaft (DE) 2003-01-29 EP disclosed
WO-2001083485-A1 IMIDAZOPYRIMIDINE DERIVATIVES AND TRIAZOLOPYRIMIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-11-08 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-20040054179-A1 Imidazopyrimidine derivatives and triazolopyrimidine derivatives XRCC6, XRN2, HRH2 KDM4E 1134/4885CYP1A2 178/4885CYP3A4 65/4885

“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.