SCHEMBL25982018

SCHEMBL25982018

Cc1cc(C)c(C(F)(F)F)c(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.32
IDO1 P14902 1/20 0.32
CYP1A2 P05177 1/20 0.31
RAD51 Q06609 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DHODH Q02127 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
UHRF1 Q96T88 1/20 0.30
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL24254981 0.83 HTT (0.33) HSP90AA1HSP90AB1HTTTDP1
SCHEMBL22028950 0.80 HSP90AA1 (0.36) HSP90AA1HSP90AB1HTTHSD17B10KDM4E
SCHEMBL29851065 0.80 HSP90AA1 (0.36) HSP90AA1HSP90AB1HTTHSD17B10KDM4E
SCHEMBL22655924 0.75 SMN1; SMN2 (0.46) HSP90AA1HSP90AB1LMNAHTTKMT2A
SCHEMBL22681209 0.72 HSP90AA1 (0.36) HSP90AA1HSP90AB1LMNAHSD17B10KDM4E
SCHEMBL20642529 0.71 CYP1A2 (0.34) HTTKDM4EMEN1KMT2AIDO1
SCHEMBL24254975 0.71 ADORA3 (0.44) HSP90AA1HSP90AB1KDM4E
SCHEMBL25411344 0.71 HTT (0.33) HSP90AA1HSP90AB1HTTTSHR
SCHEMBL11985869 0.70 CYP1A2 (0.37) LMNAKDM4EMEN1KMT2AIDO1
SCHEMBL13550096 0.70 PTGS2 (0.33) LMNAHTTALDH1A1

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-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2023-08-10 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-20230250074-A1 PROCESS FOR SYNTHESIS OF QUINAZOLINE COMPOUNDS HCCS, NQO2, SQLE HSP90AA1 3541/4885HSP90AB1 3192/4885LMNA 2878/4885

“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.