SCHEMBL19780945

SCHEMBL19780945

CC(C)(C)c1ccnc(-c2ccc(-c3ccccc3C3CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cn5)cc4)CC(c4ccc(C(C)(C)C)cc4-c4ccc(-c5ccc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7cccc(-c8ccccc8)c7)n6)cn5)cc4)C3)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.33
SYK P43405 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1D P25100 1/20 0.31
MGLL Q99685 1/20 0.31
TOP1 P11387 1/20 0.30

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
SCHEMBL19780736 0.97 HPGDS (0.34) HPGDSSYKABL1BCRADRA2A
SCHEMBL21480908 0.95 HPGDS (0.35) HPGDSADRA2AADRA1AADRA1D
SCHEMBL21477360 0.88 FFAR2 (0.35) HPGDS
SCHEMBL21721913 0.87 ABL1 (0.34) SYKABL1BCRADRA2AADRA1A
SCHEMBL21125634 0.86 ALOX5AP (0.34) ABL1BCRADRA2AADRA1AADRA1D
SCHEMBL21480904 0.85 ABL1 (0.35) ABL1BCRADRA2AADRA1AADRA1D
SCHEMBL21477352 0.84 LDHA (0.35) ABL1BCRADRA2AADRA1AADRA1D
SCHEMBL21480913 0.84 LDHA (0.35) ABL1BCRADRA2AADRA1AADRA1D
SCHEMBL19781093 0.83
SCHEMBL19833583 0.82 HPGDS (0.35) HPGDSSYK

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-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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 (3 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 HPGDS 4680/4885SYK 4588/4885ABL1 2641/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 HPGDS 4680/4885SYK 4588/4885ABL1 2641/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 HPGDS 4680/4885SYK 4588/4885ABL1 2641/4885

“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.