SCHEMBL12319862

SCHEMBL12319862

CNc1ccccc1Nc1cc2c(cc1C)-c1ccccc1C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.34
▸ PDK1 Q15118 1/20 0.34
▸ PDK3 Q15120 1/20 0.34
▸ PDK4 Q16654 1/20 0.34
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ EGFR P00533 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MLNR O43193 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ CHRM2 P08172 1/20 0.30
▸ ADRB1 P08588 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 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
SCHEMBL12319847 0.85 PDK2 (0.37) PDK2PDK1PDK3PDK4MAPT
SCHEMBL20751938 0.83 PDK2 (0.35) PDK2PDK1PDK3PDK4ESR1
SCHEMBL23040346 0.82 GAA (0.42) PDK2ESR1ESR2EGFRMAPT
SCHEMBL23193115 0.82 KDM1A (0.36) PDK2EGFRMLNRNR1I2CHRM2
SCHEMBL30827116 0.80 PDK2 (0.36) PDK2MAPTRAB9AL3MBTL1
SCHEMBL26900008 0.78 PTGER4 (0.39) PDK2EGFRMAPTMAPK1RAB9A
SCHEMBL10044314 0.77 GAA (0.42) PDK2ESR1ESR2EGFRMAPT
SCHEMBL26952461 0.75 ESR1 (0.42) PDK2ESR1ESR2EGFRMAPT
SCHEMBL26530733 0.75 PDK2 (0.33) PDK2PDK1PDK3PDK4EGFR
SCHEMBL23040350 0.74 PDK2 (0.36) PDK2MAPTRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017774-B2 Producing method for iridium complex CANON KABUSHIKI KAISHA (JP) 2011-09-13 — — US disclosed
US-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX CANON KABUSHIKI KAISHA (JP) 2007-10-04 — — 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-20070232803-A1 PRODUCING METHOD FOR IRIDIUM COMPLEX LAGE3, EML4, INTS9 PDK2 1596/4885PDK1 715/4885PDK3 1582/4885

“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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