SCHEMBL14375271

SCHEMBL14375271

COC(=O)C(Cc1c[nH]cn1)N1CCC(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HSP90AA1 P07900 1/20 0.37
CPB2 Q96IY4 1/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL13617949 0.85 OPRD1 (0.35) KMT2AMEN1
SCHEMBL8363717 0.85 CPB2 (0.45) CPB2
Trifluoroacetic Acid SCHEMBL6327175 0.79 CPB2 (0.43) CPB2HRH3
SCHEMBL8348986 0.79 KDM4D (0.45)
SCHEMBL6327558 0.79 KDM4D (0.45)
SCHEMBL3085673 0.77 ALDH1A1 (0.36) KMT2AATMNPC1RAB9A
SCHEMBL8349034 0.76 CTSL (0.49) GAAKMT2AMEN1
SCHEMBL17233692 0.76 KMT2A (0.35) POLBKMT2AMEN1HPGDRAB9A
SCHEMBL4622374 0.75 ALDH1A1 (0.35)
SCHEMBL17525712 0.75 ALDH1A1 (0.35)

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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 US disclosed
US-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine ASTRAZENECA AB (SE) 2007-10-18 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-20070244133-A1 Thienopyrimidines and Thiazolopyrimidines for Use in Medicine CXCR4, CXCR1, CXCR3 GAA 4272/4885HSP90AA1 3394/4885CPB2 1318/4885

“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.