SCHEMBL21296571

SCHEMBL21296571

O=C(CBr)Nc1ccnc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.60
PTPN11 Q06124 1/20 0.60
HTT P42858 5/20 0.58
ALDH1A1 P00352 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
GALR3 O60755 1/20 0.56
RAB9A P51151 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 3/20 0.55
MAPK1 P28482 2/20 0.55
TSHR P16473 1/20 0.55
HTR1A P08908 2/20 0.54
ADRA1D P25100 2/20 0.54
ADRA1A P35348 2/20 0.54
ADRA1B P35368 2/20 0.54
PLK4 O00444 1/20 0.53
CHEK1 O14757 1/20 0.53
PDPK1 O15530 1/20 0.53
PRKD3 O94806 1/20 0.53

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
SCHEMBL21296583 0.89 ALDH1A1 (0.74) HTTALDH1A1SMN1; SMN2LMNARAB9A
SCHEMBL28270221 0.84 HTT (0.81) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL8329708 0.82 ALDH1A1 (0.66) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL27579461 0.82 PLK4 (0.73) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL21879311 0.81 HTT (0.56) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL1902196 0.80 PTPN1 (0.67) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL7370108 0.80 PTPN1 (0.67) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL13113090 0.79 MEN1 (0.79) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7369035 0.79 PTPN1 (0.65) PTPN1PTPN11HTTALDH1A1SMN1; SMN2
SCHEMBL4861658 0.78 ALDH1A1 (0.70) HTTALDH1A1SMN1; SMN2LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999731-B2 EGFR dimer disruptors and use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-04 US disclosed
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-10-27 US disclosed
US-11358965-B2 EGFR dimer disruptors and use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-06-14 US disclosed
EP-3755323-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME The Regents Of The University Of Michigan (US) 2020-12-30 EP disclosed
US-20200377503-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2020-12-03 US disclosed
CN-111886009-A EGFR dimer disruptors and uses thereof 密歇根大学董事会 2020-11-03 CN disclosed
WO-2019165358-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-29 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 (4 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-11358965-B2 EGFR dimer disruptors and use of the same EGFR, ERBB2, ERBB4 PTPN1 458/4885PTPN11 627/4885HTT 3104/4885
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 PTPN1 458/4885PTPN11 627/4885HTT 3104/4885
US-11999731-B2 EGFR dimer disruptors and use of the same EGFR, ERBB2, ERBB4 PTPN1 458/4885PTPN11 627/4885HTT 3104/4885
US-20200377503-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 PTPN1 458/4885PTPN11 627/4885HTT 3104/4885

“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.