SCHEMBL26538593

SCHEMBL26538593

CCC(C)c1ncnc2[nH]ncc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
ALDH1A1 P00352 1/20 0.50
PDPK1 O15530 2/20 0.49
RET P07949 1/20 0.49
PI4KA P42356 1/20 0.49
XDH P47989 1/20 0.49
LRRK2 Q5S007 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
AKT2 P31751 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 2/20 0.40
HPGDS O60760 1/20 0.40
CSF1R P07333 1/20 0.39
MKNK1 Q9BUB5 2/20 0.39
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL2611044 0.82 RET (0.55) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL1129258 0.82 ALDH1A1 (0.49) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL21442708 0.79 XDH (0.52) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL24983884 0.75 CYP1A2 (0.33) CYP1A2ALDH1A1PDPK1
SCHEMBL10226489 0.75 ALDH1A1 (0.56) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL22662122 0.75 CYP1A2 (0.55) CYP1A2ALDH1A1PDPK1RETPI4KA
Allopurinol SCHEMBL9245969 0.72 CYP1A2 (0.54) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL21275551 0.69 RET (0.52) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL12352811 0.69 ALDH1A1 (0.53) CYP1A2ALDH1A1PDPK1RETPI4KA
SCHEMBL10094121 0.69 PDPK1 (0.66) CYP1A2ALDH1A1PDPK1RETPI4KA

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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER BRISTOL MYERS SQUIBB CO (US) 2023-10-12 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-20230322803-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER DDX21, HRAS, RPL17 CYP1A2 2476/4885ALDH1A1 1946/4885PDPK1 2710/4885

“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.