SCHEMBL24097690

SCHEMBL24097690

O=c1[nH]cc(F)c2cc(Br)sc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
CYP19A1 P11511 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
HTT P42858 1/20 0.34
HBB P68871 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 1/20 0.34
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 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
SCHEMBL3086572 0.75 DPYD (0.40) ALDH1A1GSK3B
SCHEMBL15281526 0.69 GSK3B (0.33) GSK3B
SCHEMBL2233362 0.68 GSK3B (0.30) GSK3B
SCHEMBL22473899 0.66 CHEK1 (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL15010561 0.66 CHEK1 (0.46) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL31402098 0.64 ALDH1A1 (0.34) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL25332682 0.63 PDPK1 (0.34) GSK3B
SCHEMBL389952 0.63 PARP1 (0.38)
SCHEMBL19806010 0.62
SCHEMBL4212348 0.62 NPC1 (0.60) ALDH1A1MAPTSMN1; SMN2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
US-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. 2023-07-06 US disclosed
WO-2021252661-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-16 WO 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-20230212171-A1 ALLOSTERIC EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 4739/4885LMNA 4645/4885MAPT 3718/4885

“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.