SCHEMBL2425107

SCHEMBL2425107

COc1ccc(N2CC[C@H](N(C)C)C2)c(C=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ HRH1 P35367 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ ERN1 O75460 1/20 0.42
▸ MCHR1 Q99705 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ PDE1B Q01064 1/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 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
SCHEMBL2425113 1.00 PIM1 (0.43) PIM1PIM3PIM2HRH1KCNH2
SCHEMBL2423047 0.92 ERN1 (0.44) HRH1KCNH2CHRM1ERN1ALDH1A1
SCHEMBL2421557 0.83 ALDH1A1 (0.48) PIM1PIM3PIM2HRH1KCNH2
SCHEMBL2426279 0.83 ALDH1A1 (0.48) PIM1PIM3PIM2HRH1KCNH2
SCHEMBL2425261 0.83 ALDH1A1 (0.48) PIM1PIM3PIM2HRH1KCNH2
SCHEMBL2420993 0.83 PIM1 (0.46) PIM1PIM3PIM2MCHR1ALDH1A1
SCHEMBL2420991 0.83 PIM1 (0.46) PIM1PIM3PIM2MCHR1ALDH1A1
SCHEMBL2425192 0.82 PIM1 (0.45) PIM1PIM3PIM2MCHR1ALDH1A1
SCHEMBL2427272 0.82 PIM1 (0.45) PIM1PIM3PIM2ERN1MCHR1
SCHEMBL2427274 0.82 PIM1 (0.45) PIM1PIM3PIM2ERN1MCHR1

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 PIM1 1/4885PIM3 2/4885PIM2 3/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 PIM1 1/4885PIM3 2/4885PIM2 3/4885

“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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