SCHEMBL19006032

SCHEMBL19006032

CCCCCn1nc(C)c2cc(F)ccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.51
ADORA2B P29275 2/20 0.51
KDM4C Q9H3R0 3/20 0.50
ICMT O60725 3/20 0.45
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
ACHE P22303 1/20 0.43
GLS O94925 1/20 0.41
SMPD1 P17405 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR8 Q9NR97 1/20 0.39

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
SCHEMBL19597086 0.89 ADORA2A (0.65) ADORA2AADORA2BKDM4CICMTGLS
SCHEMBL19597232 0.87 ADORA2A (0.43) ADORA2AADORA2BKDM4CICMTCNR2
SCHEMBL19597097 0.85 KDM4C (0.52) ADORA2AADORA2BKDM4CGLS
SCHEMBL15792217 0.84 KDM4C (0.49) KDM4CICMTCNR2CNR1ACHE
SCHEMBL19596937 0.83 KDM4C (0.40) ADORA2AADORA2BKDM4CICMTGLS
SCHEMBL19597358 0.83 KDM4C (0.53) ADORA2AADORA2BKDM4CICMTGLS
SCHEMBL19597374 0.83 ADORA2A (0.42) ADORA2AADORA2BKDM4CCNR2CNR1
SCHEMBL17232744 0.83 ADORA2A (0.62) ADORA2AADORA2BKDM4CGLSALDH1A1
SCHEMBL19596954 0.82 ADORA2A (0.46) ADORA2AADORA2BKDM4CGLSALDH1A1
SCHEMBL18723313 0.78 MPO (0.47) KDM4CICMTCNR2CNR1SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040779-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-08-07 US disclosed
US-20170174656-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-06-22 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 (2 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-10040779-B2 Histone demethylase inhibitors KDM1B, KDM5A, KDM5C ADORA2A 2772/4885ADORA2B 2892/4885KDM4C 13/4885
US-20170174656-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM5A, KDM5C ADORA2A 2772/4885ADORA2B 2892/4885KDM4C 13/4885

“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.