SCHEMBL1553322

SCHEMBL1553322

COC(=O)c1cn2cc(Br)ccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.47
MAP3K5 Q99683 1/20 0.47
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
APP P05067 2/20 0.44
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
MAPT P10636 4/20 0.42
TP53 P04637 1/20 0.42
METTL3 Q86U44 1/20 0.42
ALDH1A1 P00352 4/20 0.42
ALDH1A3 P47895 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL1500236 0.85 KDM4E (0.64) KDM4EPOLBGABRA2GABRB2MAPT
SCHEMBL21246447 0.84 RAB9A (0.52) MAP3K5KDM4EPOLBAPPMAPT
SCHEMBL23534439 0.84 MAP3K5 (0.47) PIK3CGMAP3K5KDM4EPOLBAPP
SCHEMBL1500263 0.82 PIK3CG (0.51) PIK3CGMAP3K5KDM4EPOLBAPP
SCHEMBL22479152 0.81 KDM4E (0.46) KDM4EPOLBAPPMAPTALDH1A1
SCHEMBL16396042 0.81 RAB9A (0.48) KDM4EPOLBMAPTALDH1A1ALDH1A3
SCHEMBL1500394 0.80 PTGS1 (0.57) PIK3CGMAP3K5KDM4EPOLBAPP
SCHEMBL1500384 0.80 APP (0.47) PIK3CGMAP3K5KDM4EPOLBAPP
SCHEMBL20602411 0.79 KDM4E (0.53) KDM4EPOLBGABRA2GABRB2MAPT
SCHEMBL29540016 0.79 PIK3CG (0.56) PIK3CGMAP3K5KDM4EPOLBAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240201205-A1 METHOD FOR DETECTING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 US disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 US disclosed
EP-3423435-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2019-01-09 EP disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
EP-2102199-B1 ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS ASTRAZENECA AB (SE) 2011-04-27 EP 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 (6 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 PIK3CG 2962/4885MAP3K5 3514/4885KDM4E 4298/4885
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PIK3CG 1404/4885MAP3K5 1914/4885KDM4E 1156/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 PIK3CG 1404/4885MAP3K5 1914/4885KDM4E 1156/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 PIK3CG 1404/4885MAP3K5 1914/4885KDM4E 1156/4885
US-20240197682-A1 METHOD FOR TREATING NEUROLOGICAL DISEASES USING SUPRAMOLECULE POLYMER THERAPEUTICS PRNP, PSEN1, SNCA PIK3CG 4656/4885MAP3K5 3462/4885KDM4E 4814/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 PIK3CG 1404/4885MAP3K5 1914/4885KDM4E 1156/4885

“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.