SCHEMBL21296572

SCHEMBL21296572

COC(=O)C(N)c1ccccc1Br

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
RECQL P46063 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL30574489 1.00 CYP2C19 (0.44) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL9664845 0.87 KMT2A (0.50) KMT2AALDH1A1CYP3A4
SCHEMBL649031 0.80 CYP2C19 (0.46) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL31383801 0.80 CYP2C19 (0.49) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL1345452 0.80 CYP2C19 (0.49) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL8568940 0.80 ALDH1A1 (0.47) KMT2AALDH1A1POLBCYP3A4
SCHEMBL30078420 0.80 CYP2C19 (0.46) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL7976422 0.80 CA1 (0.47) HTTKMT2AALDH1A1POLB
SCHEMBL9126501 0.80 CYP2C19 (0.46) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL27808763 0.79 KMT2A (0.41) CYP2C19CYP2C9HTTKMT2AALDH1A1

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 10 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-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2024-05-30 US disclosed
EP-4288412-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME Rappta Therapeutics Oy (FI) 2023-12-13 EP disclosed
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-10-27 US disclosed
WO-2022167866-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME RAPPTA THERAPEUTICS OY (FI) 2022-08-11 WO 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 (5 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 CYP2C19 4266/4885CYP2C9 4164/4885HTT 3104/4885
US-20220340572-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 CYP2C19 4266/4885CYP2C9 4164/4885HTT 3104/4885
US-20240174603-A1 MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME PPM1A, PPP2CA, PPP3CA CYP2C19 4761/4885CYP2C9 4632/4885HTT 2274/4885
US-11999731-B2 EGFR dimer disruptors and use of the same EGFR, ERBB2, ERBB4 CYP2C19 4266/4885CYP2C9 4164/4885HTT 3104/4885
US-20200377503-A1 EGFR DIMER DISRUPTORS AND USE OF THE SAME EGFR, ERBB2, ERBB4 CYP2C19 4266/4885CYP2C9 4164/4885HTT 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.