SCHEMBL26313710

SCHEMBL26313710

COc1nc(C)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
CYP1A2 P05177 2/20 0.55
NUDT1 P36639 1/20 0.55
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.51
TP53 P04637 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
MAPK1 P28482 1/20 0.51
MPO P05164 1/20 0.46
RAD52 P43351 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
PRNP P04156 1/20 0.45

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
SCHEMBL27555546 0.80 TDP1 (0.49) GPR3ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL29487316 0.80 MAPT (0.56) ALDH1A1HPGDCYP1A2POLBMEN1
SCHEMBL317214 0.80 MAPT (0.56) ALDH1A1HPGDCYP1A2POLBMEN1
SCHEMBL27627952 0.79 SCN9A (0.51) GPR3ALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30380181 0.78 POLB (0.52) GPR3ALDH1A1HPGDPOLBMEN1
SCHEMBL148103 0.78 DCPS (0.57) ALDH1A1HPGDHSD17B10CYP1A2NUDT1
Hydrochloric Acid SCHEMBL8442906 0.78 MAPT (0.54) ALDH1A1HPGDCYP1A2POLBMEN1
Hydrochloric Acid SCHEMBL6017885 0.77 CYP1A1 (0.58) ALDH1A1HPGDHSD17B10CYP1A2POLB
SCHEMBL26314588 0.77 PRNP (0.67) ALDH1A1HPGDNUDT1POLBMEN1
Hydrochloric Acid SCHEMBL27432557 0.77 MAPT (0.53) ALDH1A1HPGDHSD17B10CYP1A2POLB

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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV GPR3 1973/4885ALDH1A1 2893/4885HPGD 3044/4885

“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.