SCHEMBL12263201

SCHEMBL12263201

CC(C)c1ccc(-c2cccc(C#N)c2)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 9/20 0.46
▸ AKR1C2 P52895 9/20 0.46
▸ GABRG2 P18507 2/20 0.45
▸ GABRB3 P28472 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ PTGS1 P23219 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ FABP2 P12104 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ AKR1C4 P17516 1/20 0.44
▸ ADRA2B P18089 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ AKR1C1 Q04828 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL23070482 0.84 AKR1C3 (0.69) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL12263193 0.83 CYP2C19 (0.44) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL12263206 0.82 PGR (0.43) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL12326412 0.80 GABRG2 (0.48) AKR1C3AKR1C2GABRG2GABRB3GABRA5
SCHEMBL24017180 0.80 GABRG2 (0.64) GABRG2GABRB3GABRA5GABRA3ADRA2C
SCHEMBL12570867 0.80 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL8240673 0.79 CLK4 (0.49) GABRG2GABRB3GABRA5GABRA3PSEN1
SCHEMBL19579266 0.79 ADRA2C (0.54) GABRG2GABRB3GABRA5GABRA3ADRA2C
SCHEMBL12919972 0.78 ADAMTS4 (0.48) GABRG2GABRB3GABRA5GABRA3CYP1A2
SCHEMBL12263195 0.78 CYP11B1 (0.49) AKR1C3AKR1C2PSEN1PSEN2APH1B

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 10 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-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 — — 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 (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-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AKR1C3 4087/4885AKR1C2 3588/4885GABRG2 907/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AKR1C3 4087/4885AKR1C2 3588/4885GABRG2 907/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AKR1C3 4087/4885AKR1C2 3588/4885GABRG2 907/4885
US-20110224190-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 AKR1C3 4087/4885AKR1C2 3588/4885GABRG2 907/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 AKR1C3 4087/4885AKR1C2 3588/4885GABRG2 907/4885

“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.

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