SCHEMBL25670596

SCHEMBL25670596

Cc1ccc2c(C(C)(C)C)nc(C)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
NQO2 P16083 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
ACHE P22303 4/20 0.37
BCHE P06276 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRM2 Q14416 1/20 0.36
CHEK1 O14757 1/20 0.35
PARP1 P09874 1/20 0.35
PIM1 P11309 1/20 0.35
RPS6KA3 P51812 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 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
SCHEMBL15504766 0.80 NPSR1 (0.44) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL15429561 0.80 ELANE (0.40) CYP1A2ALDH1A1KDM4ELMNAMAPT
SCHEMBL25670600 0.80 LMNA (0.35) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL179260 0.77 LMNA (0.49) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL25670607 0.77 KDM4E (0.35) CYP1A2NQO2ALDH1A1KDM4EMAPT
SCHEMBL20465517 0.76 ALDH1A1 (0.44) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL25670575 0.74 CHEK1 (0.42) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL12457557 0.73 HRH4 (0.46) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL31391484 0.73 CYP1A2 (0.41) CYP1A2NQO2ALDH1A1KDM4ELMNA
SCHEMBL29892219 0.73 CYP1A2 (0.41) CYP1A2NQO2ALDH1A1KDM4ELMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 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 (3 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-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CYP1A2 4507/4885NQO2 1232/4885ALDH1A1 3233/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 CYP1A2 4654/4885NQO2 1867/4885ALDH1A1 4801/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 CYP1A2 4507/4885NQO2 1232/4885ALDH1A1 3233/4885

“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.