SCHEMBL25112154

SCHEMBL25112154

Cc1ncn(-c2ncc(OC(C)C)c3c(C(=O)C(=O)N4CCN(C(=O)c5ccccc5)CC4)c[nH]c23)n1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.84
CYP2C9 P11712 5/20 0.84
CYP2D6 P10635 5/20 0.84
CYP3A4 P08684 3/20 0.84
CYP1A2 P05177 2/20 0.84
CYP2C8 P10632 1/20 0.84
CYP2B6 P20813 1/20 0.84
KCNH2 Q12809 1/20 0.84
CNR2 P34972 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.34
BTK Q06187 1/20 0.34
KIT P10721 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12527942 0.91 CYP2C19 (0.88) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
Temsavir SCHEMBL760768 0.91 CYP2C19 (1.00) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
Temsavir SCHEMBL30468308 0.91 CYP2C19 (1.00) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25112144 0.90 CYP2C19 (0.86) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25111993 0.90 CYP2C19 (0.86) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL24533628 0.90 CYP2C19 (0.85) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25112220 0.89 CYP2C19 (0.84) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL2629185 0.86 CYP2C19 (0.79) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25112399 0.86 CYP2C19 (0.78) CYP2C19CYP2C9CYP2D6CYP3A4CYP1A2
SCHEMBL25112125 0.86 CYP2C19 (0.78) 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.