SCHEMBL4920061

SCHEMBL4920061

CC(=NC1CCCCC1)c1nccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBBP9 O75884 5/20 0.57
HKDC1 Q2TB90 1/20 0.45
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.43
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
MAPT P10636 2/20 0.38
CASP3 P42574 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
SENP6 Q9GZR1 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL4918762 1.00 RBBP9 (0.57) RBBP9HKDC1ALDH1A1ALOX15CYP1A2
SCHEMBL1254922 0.73 ALDH1A1 (0.59) RBBP9HKDC1ALDH1A1CYP1A2CYP2D6
SCHEMBL4749267 0.73 ALDH1A1 (0.51) RBBP9HKDC1ALDH1A1ALOX15MAPT
SCHEMBL4894210 0.73 ALDH1A1 (0.51) RBBP9HKDC1ALDH1A1ALOX15MAPT
SCHEMBL13237108 0.71
SCHEMBL2948821 0.71
SCHEMBL2948824 0.71
SCHEMBL17183611 0.70
SCHEMBL5560181 0.68 ALDH1A1 (0.53) RBBP9HKDC1ALDH1A1ALOX15CYP1A2
SCHEMBL6714110 0.68 KDM4E (0.54) HKDC1ALDH1A1ALOX15CYP1A2MAPT

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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity ASTRAZENECA AB (SE) 2008-07-03 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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 RBBP9 2140/4885HKDC1 750/4885ALDH1A1 740/4885

“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.