SCHEMBL8477235

SCHEMBL8477235

COCc1cncc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.57
CYP11B2 P19099 6/20 0.57
KCNH2 Q12809 1/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
GRM5 P41594 2/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
ROCK1 Q13464 1/20 0.41
DYRK1A Q13627 1/20 0.41
NTRK3 Q16288 1/20 0.41
PKN2 Q16513 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
STK17A Q9UEE5 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL13296776 0.84 CYP11B2 (0.51) CYP11B1CYP11B2GRM5CYP1A1CYP1B1
SCHEMBL19250964 0.81 CYP11B1 (0.41) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL91481 0.81 CYP11B1 (0.46) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL27704092 0.80 CYP11B2 (0.43) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL22307597 0.80 CYP11B1 (0.43) CYP11B1CYP11B2GRM5GRIN1GRIN2B
SCHEMBL1770087 0.79 CYP11B1 (0.57) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL7674254 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL22774749 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL2681872 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KCNH2KDM1AMAOA
SCHEMBL30240891 0.79 CYP11B1 (0.45) CYP11B1CYP11B2KCNH2KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929188-A1 PD-L1 ANTAGONIST COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2021-12-29 EP disclosed
US-10479802-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2019-11-19 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-20080027037-A1 Cyclic compounds TANABE SEIYAKU CO., LTD. 2008-01-31 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7273868-B2 Pyrazine derivatives TANABE SEIYAKU CO., LTD. (JP) 2007-09-25 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
US-7220736-B2 Pyrimidine compounds TANABE SEIYAKU CO., LTD. (JP) 2007-05-22 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP 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 (5 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-10479802-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 CYP11B1 4010/4885CYP11B2 4299/4885KCNH2 4030/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CYP11B1 3010/4885CYP11B2 2870/4885KCNH2 4676/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CYP11B1 3351/4885CYP11B2 3155/4885KCNH2 4547/4885
US-20170283436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, FABP7 CYP11B1 4010/4885CYP11B2 4299/4885KCNH2 4030/4885
US-20080027037-A1 Cyclic compounds PDE4A, PDE4B, PDE3B CYP11B1 43/4885CYP11B2 48/4885KCNH2 1110/4885

“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.