SCHEMBL13178709

SCHEMBL13178709

Cc1cnn2ccc(N)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.39
SMPD3 Q9NY59 2/20 0.38
ALDH1A1 P00352 3/20 0.35
FASN P49327 1/20 0.35
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
GSK3A P49840 1/20 0.33
LIMK1 P53667 1/20 0.33
IKBKE Q14164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TAOK1 Q7L7X3 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL33849 0.80 SMPD3 (0.40) CASP1SMPD3CHEK1AURKADAPK3
SCHEMBL17133482 0.80 EPHB3 (0.43) SMPD3ALDH1A1FASNMAPK14LMNA
SCHEMBL15689122 0.77 CYP3A4 (0.35) SMPD3ALDH1A1MAPTTSHRALOX15
SCHEMBL24349062 0.77 PIK3CD (0.39) SMPD3FASNLMNAHTT
SCHEMBL24370193 0.77 EPHB3 (0.43) SMPD3LMNAMAPTMEN1KMT2A
SCHEMBL24149172 0.77 PIK3CA (0.44) SMPD3
SCHEMBL15690545 0.77 SMPD3 (0.34) SMPD3ALDH1A1CHEK1AURKADAPK3
SCHEMBL26067168 0.77 HTR2C (0.37) SMPD3FASNLMNAPDE10AHTT
SCHEMBL23938061 0.74 EPHB3 (0.46) ALDH1A1LMNAKDM4EMAPTMEN1
SCHEMBL26719772 0.74 PIK3CA (0.34) SMPD3ALDH1A1FASNLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2010-09-09 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-20100226881-A1 PYRAZOLO[1,5-a]PYRIDINES AND THEIR USE IN CANCER THERAPY TP53, PNPO, DPYD CASP1 222/4885SMPD3 4146/4885ALDH1A1 588/4885

“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.