SCHEMBL3113871

SCHEMBL3113871

CCc1sc(N)nc1-c1cnccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
HTT P42858 2/20 0.40
RECQL P46063 1/20 0.40
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL31361560 0.78 MAPT (0.62) ALDH1A1MAPTPIK3CDPIK3CAPI4KA
SCHEMBL509072 0.73 CDC7 (0.62) ALDH1A1MAPTCDC7DBF4SMN1; SMN2
SCHEMBL21013637 0.70 HTT (0.51) ALDH1A1HTTRECQLCDC7DBF4
SCHEMBL1459714 0.69 CDC7 (0.59) ALDH1A1HTTRECQLCDC7DBF4
SCHEMBL21495064 0.67 HSP90AA1 (0.46) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL10160902 0.67 CYP2D6 (0.44) MAPTPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL2174125 0.67 ALDH1A1 (1.00) ALDH1A1MAPTHTTSMN1; SMN2GAA
SCHEMBL21484867 0.67 ALDH1A1 (0.61) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB
SCHEMBL18230383 0.67 ALDH1A1 (0.55) ALDH1A1MAPTPIK3CDPIK3CAPI4KA
SCHEMBL21495007 0.67 TGFBR1 (0.63) ALDH1A1MAPTPIK3CDPIK3CAPIK3CB

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-8071605-B2 Piperidine compounds for use in the treatment of bacterial infections ASTRAZENECA AB (SE) 2011-12-06 US disclosed
US-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 ASTRAZENECA AB (SE) 2010-07-08 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-20100173909-A1 PIPERIDINE COMPOUNDS AND USES THEREOF - 596 NISCH, PAK6, MYD88 ALDH1A1 609/4885MAPT 2680/4885PIK3CD 1719/4885

“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.