SCHEMBL2425261

SCHEMBL2425261

COc1cc(C=O)c(N2CC[C@@H](N(C)C)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ PRKDC P78527 2/20 0.39
▸ NTSR1 P30989 1/20 0.38
▸ CCR4 P51679 2/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A3 P47895 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ INSR P06213 2/20 0.35
▸ AXL P30530 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ EGFR P00533 2/20 0.34

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
SCHEMBL2421557 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2426279 1.00 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2424543 0.92 ALDH1A1 (0.54) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL2425113 0.83 PIM1 (0.43) ALDH1A1PIM1PIM3PIM2MCHR1
SCHEMBL2425107 0.83 PIM1 (0.43) ALDH1A1PIM1PIM3PIM2MCHR1
SCHEMBL2462817 0.81 ALDH1A1 (0.50) ALDH1A1MAPTKDM4ETSHRTDP1
SCHEMBL1580528 0.79 PIM1 (0.69) PIM1PIM3PIM2IGF1R
SCHEMBL2485980 0.79 PIM1 (0.69) PIM1PIM3PIM2IGF1R
SCHEMBL2485984 0.79 PIM1 (0.69) PIM1PIM3PIM2IGF1R
SCHEMBL1580531 0.79 PIM1 (0.69) PIM1PIM3PIM2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — 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 (2 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ALDH1A1 498/4885MAPT 3102/4885KDM4E 477/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885MAPT 3277/4885KDM4E 478/4885

“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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