SCHEMBL23917940

SCHEMBL23917940

CN1c2ccccc2N(C)C1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PDGFRB P09619 1/20 0.39
▸ GPR3 P46089 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ PAX8 Q06710 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
SCHEMBL26416381 0.78 PTPN2 (0.42) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL21250753 0.75 PDGFRB (0.46) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL28331891 0.72 PTPN2 (0.38) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL30353863 0.70 GAA (0.62) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL1049325 0.70 GAA (0.62) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL19425817 0.69 PDGFRB (0.42) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL31324048 0.69 PDGFRB (0.42) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL4163870 0.69 PDGFRB (0.42) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL29765639 0.69 PDGFRB (0.42) PTPN2PTPN1PDGFRBGPR3LMNA
SCHEMBL1412726 0.69 PDGFRB (0.42) PTPN2PTPN1PDGFRBGPR3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317153-A1 IRIDIUM (III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR USE THEREOF IN CANCER TREATMENT THE UNIVERSITY OF HONG KONG (HK) 2021-10-14 — — US 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-20210317153-A1 IRIDIUM (III) COMPLEXES CONTAINING N-HETEROCYCLIC CARBENE LIGAND, SYNTHESIS, AND THEIR USE THEREOF IN CANCER TREATMENT HCCS, CASP3, BAD PTPN2 3823/4885PTPN1 3658/4885PDGFRB 2298/4885

“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.

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