SCHEMBL12263196

SCHEMBL12263196

CC(C)c1ccc(-c2cccnc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.51
CYP11B1 P15538 6/20 0.51
CYP19A1 P11511 4/20 0.51
CYP17A1 P05093 3/20 0.51
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2A6 P11509 1/20 0.48
ABCB1 P08183 6/20 0.47
RPS6KA3 P51812 1/20 0.47
ABCC1 P33527 3/20 0.45
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
MEN1 O00255 1/20 0.45
PSIP1 O75475 1/20 0.45
AXL P30530 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
AKR1C3 P42330 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
SCHEMBL18488278 0.87 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL19725608 0.82 MKNK1 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL12925874 0.81 RPS6KA3 (0.43) CYP11B2CYP11B1CYP17A1RPS6KA3ERN1
SCHEMBL14570076 0.80 NAAA (0.43) CYP17A1RPS6KA3
SCHEMBL13122812 0.80 ERN1 (0.48) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL12263188 0.80 CYP2A6 (0.52) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL18876407 0.79 NPY5R (0.62) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL31403147 0.79 NPY5R (0.62) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1
SCHEMBL25841973 0.79 FFAR1 (0.50) CYP11B2CYP11B1AKR1C2
SCHEMBL12326414 0.78 CYP2A6 (0.54) CYP11B2CYP11B1CYP19A1CYP17A1ALDH1A1

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
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
US-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor PLEXXIKON INC. (US) 2020-07-07 US disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-08-02 US disclosed
US-9999619-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2018-06-19 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2017-08-31 US disclosed
US-9464088-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-10-11 US disclosed
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION (US) 2014-09-18 US disclosed
US-8765734-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2014-07-01 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 US disclosed
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2011-09-15 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 (7 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-10703757-B2 Compounds and methods for CDK8 modulation and indications therefor CDK8, CDK7, CDK18 CYP11B2 517/4885CYP11B1 426/4885CYP19A1 1060/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP11B2 4259/4885CYP11B1 3970/4885CYP19A1 2631/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP11B2 4259/4885CYP11B1 3970/4885CYP19A1 2631/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP11B2 4259/4885CYP11B1 3970/4885CYP19A1 2631/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 CYP11B2 4259/4885CYP11B1 3970/4885CYP19A1 2631/4885
US-20180215763-A1 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR CDK8, CDK7, CDK18 CYP11B2 517/4885CYP11B1 426/4885CYP19A1 1060/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 CYP11B2 4259/4885CYP11B1 3970/4885CYP19A1 2631/4885

“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.