SCHEMBL25111997

SCHEMBL25111997

COc1cnc(-n2cnc(COCC(=O)NCCNC(=O)COCc3ncn(-c4ncc(OC)c5c(C(=O)C(=O)N6CCN(C(=O)c7ccccc7)CC6)c[nH]c45)n3)n2)c2[nH]cc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.70
CYP2C9 P11712 4/20 0.70
CYP2D6 P10635 4/20 0.70
CYP3A4 P08684 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C8 P10632 1/20 0.70
CYP2B6 P20813 1/20 0.70
KCNH2 Q12809 1/20 0.70
BTK Q06187 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
CNR2 P34972 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
KIT P10721 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL22783569 0.94 CYP2C19 (0.71) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL22783563 0.94 CYP2C9 (0.64) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL22783573 0.93 CYP2C19 (0.70) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL22783687 0.92 CYP2C19 (0.74) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL22783558 0.91 CYP3A4 (0.61) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL2629210 0.89 CYP2C19 (0.80) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25113015 0.88 CYP3A4 (0.55) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL2629209 0.87 CYP2C19 (0.81) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25113001 0.87 CYP2C19 (0.75) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL22783515 0.87 CYP2C19 (0.75) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 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 (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-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS FCGR3B, FCGR1A, FCGR2A CYP2C19 917/4885CYP2C9 1646/4885CYP2D6 1815/4885

“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.