SCHEMBL10170664

SCHEMBL10170664

C=C(C)c1ccc(C#N)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LRRK2 Q5S007 1/20 0.37
TSHR P16473 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM5A P29375 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10170657 0.81 ALDH1A1 (0.40) ARSMN1; SMN2KDM5AALDH1A1CYP1A2
SCHEMBL12870164 0.78 KDM4E (0.51) ARSMN1; SMN2KDM4ELRRK2TSHR
SCHEMBL10170655 0.77 KDM4E (0.49) SMN1; SMN2KDM4EKDM5AHPGDALDH1A1
SCHEMBL15093941 0.76 GRM2 (0.43) ARSMN1; SMN2KDM4ELRRK2TSHR
SCHEMBL12051540 0.74 NOS3 (0.43) KDM4EMAPK1
SCHEMBL16224715 0.74 GAA (0.50) ARSMN1; SMN2KDM4EHPGDALDH1A1
SCHEMBL31657700 0.72 AR (0.39) ARSMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL4549701 0.72 AR (0.39) ARSMN1; SMN2KDM4ETSHRALDH1A1
SCHEMBL31253097 0.71 HRH4 (0.45) ARSMN1; SMN2KDM4ETSHRHPGD
SCHEMBL1641172 0.71 HRH4 (0.45) ARSMN1; SMN2KDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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 (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-20100286202-A1 New Compounds REN, PCSK9, FURIN AR 1556/4885SMN1; SMN2 3719/4885KDM4E 3569/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 AR 980/4885SMN1; SMN2 3425/4885KDM4E 3792/4885

“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.