SCHEMBL25834987

SCHEMBL25834987

Cc1c(F)c(Br)cc([N+](=O)[O-])c1NC(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.36
CYP3A4 P08684 2/20 0.36
PGR P06401 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 1/20 0.35
CYP1A2 P05177 2/20 0.35
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.34
CES2 O00748 1/20 0.34
ABCB11 O95342 1/20 0.34
GLA P06280 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL240819 0.81 MEN1 (0.45) ARCYP3A4PGRMEN1KMT2A
SCHEMBL15985062 0.78 ALDH1A1 (0.44) ARCYP3A4PGRMEN1KMT2A
SCHEMBL7784821 0.77 HRAS (0.41) ARCYP3A4PGRMEN1KMT2A
SCHEMBL29181806 0.76 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9ACYP1A2
SCHEMBL7739646 0.76 MEN1 (0.41) ARCYP3A4PGRMEN1KMT2A
SCHEMBL9677433 0.75 CYP1A2 (0.48) CYP3A4ALDH1A1CYP1A2TSHRMAPK1
SCHEMBL20356210 0.75 AR (0.38) ARCYP3A4PGRMEN1KMT2A
SCHEMBL1967675 0.74 ABL1 (0.48) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL10319872 0.74 ALDH1A1 (0.36) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL239425 0.74 PDK1 (0.40) ARCYP3A4PGRMEN1KMT2A

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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-07-13 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-20230219986-A1 NOVEL AMINOPYRIMIDINE EGFR INHIBITOR EGFR, ERBB2, ERBB4 AR 926/4885CYP3A4 3314/4885PGR 812/4885

“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.