SCHEMBL26200716

SCHEMBL26200716

CC(C)c1ccc(OCCC(C)c2cccnc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.38
ALPL P05186 1/20 0.37
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
KDM4E B2RXH2 1/20 0.35
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35
CYP19A1 P11511 1/20 0.35
PDE4D Q08499 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL24616586 0.81 ACACB (0.32)
SCHEMBL21282961 0.79 GABRP (0.33) CHRNB2CHRNA4ALDH1A1
SCHEMBL16996967 0.78 GABRP (0.44) SMN1; SMN2TP53HTT
SCHEMBL12199610 0.76 SMN1; SMN2 (0.44) CHRNB2CHRNA4KDM4ECFTRSLC6A2
SCHEMBL12014977 0.76 FFAR1 (0.44) CHRNB2CHRNA4KDM4ESMN1; SMN2NPC1
SCHEMBL20825721 0.74 SMN1; SMN2 (0.34) KDM4EPDE4DSMN1; SMN2ALDH1A1HTT
SCHEMBL10236 0.73
SCHEMBL30391667 0.73
SCHEMBL24616627 0.73 OXTR (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL10141613 0.73 ACACB (0.49)

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-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2023-08-31 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-20230271968-A1 PYRAZOLOPYRIMIDINE COMPOUND USED AS ATR KINASE INHIBITOR ATR, CHEK1, CHEK2 ELOVL1 3933/4885ALPL 3200/4885CHRNB2 3138/4885

“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.