SCHEMBL24401657

SCHEMBL24401657

Cc1cc(C)c(Nc2ncccc2N)cc1Nc1ncccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NOS3 P29474 1/20 0.41
▸ NOS1 P29475 1/20 0.41
▸ NOS2 P35228 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ ALOX12 P18054 1/20 0.39
▸ GRM4 Q14833 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ GAA P10253 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
SCHEMBL29531937 1.00 CA12 (0.45) CA12CA1CA2CA9RAB9A
SCHEMBL9777680 0.85 SMN1; SMN2 (0.52) CA12CA1CA2CA9RAB9A
SCHEMBL11562202 0.84 RAB9A (0.42) CA12CA1CA2CA9RAB9A
SCHEMBL11964418 0.83 HTT (0.47) CA12CA1CA2CA9RAB9A
SCHEMBL9777594 0.79 LMNA (0.44) CA12CA1CA2CA9RAB9A
SCHEMBL14446507 0.78 LMNA (0.60) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL9777628 0.76 LMNA (0.41) CA12CA1CA2CA9RAB9A
SCHEMBL29580726 0.76 ATM (0.44) CA12CA1CA2CA9RAB9A
SCHEMBL4945666 0.76 MAPT (0.47) RAB9AALDH1A1HPGDNOS3NOS1
SCHEMBL30395905 0.76 MAPT (0.47) RAB9AALDH1A1HPGDNOS3NOS1

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-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NATIONAL TSING HUA UNIVERSITY (TW) 2022-05-05 — — 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-20220140258-A1 IRIDIUM COMPLEX, NITROGEN-CONTAINING TRIDENTATE CARBENE CHELATE, AND ORGANIC LIGHT-EMITTING DIODE NR2E3, CHRM1, CBR3 CA12 565/4885CA1 881/4885CA2 774/4885

“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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