SCHEMBL1591771

SCHEMBL1591771

CN(C)c1ccc(C=O)c(F)c1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 3/20 0.34
PLEC Q15149 1/20 0.34
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
GPR55 Q9Y2T6 1/20 0.31
BCL6 P41182 1/20 0.31

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
SCHEMBL6204965 0.84 ALDH1A1 (0.41) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL8374836 0.79 AKR1C3 (0.36) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL8374835 0.79 AKR1C3 (0.36) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL422228 0.77 EPAS1 (0.32) KCNJ1
SCHEMBL21922442 0.77 ERN1 (0.38) ALDH1A1KDM4ELMNAHPGDMEN1
SCHEMBL27722548 0.76 SMN1; SMN2 (0.38) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL12326880 0.75 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL9928613 0.75 MAPT (0.38) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL13822091 0.74 ALDH1A1 (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL18302305 0.74 TDP1 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
EP-4036088-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2024-04-03 EP disclosed
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE CORPORATION 2023-02-09 US disclosed
US-11285140-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE CORPORATION (US) 2022-03-29 US disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP disclosed
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORPORATION 2020-12-24 US disclosed
EP-3715347-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2020-09-30 EP disclosed
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-06-30 US disclosed
EP-3354652-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2020-05-06 EP disclosed
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors INCYTE HOLDINGS CORPORATION (US) 2020-05-05 US disclosed
US-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO disclosed
WO-2004007453-A1 PIPERIDINETRIOL DERIVATIVES AS INHIBITORS OF GLYCOSYLCERAMIDE SYNTHASE OXFORD GLYCOSCIENCES (UK) LTD (GB) 2004-01-22 WO disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 US disclosed
EP-1254133-A2 INDOL-3-YL DERIVATIVES MERCK PATENT GmbH (DE) 2002-11-06 EP disclosed
WO-2001058893-A2 INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2001-08-16 WO disclosed
EP-0755919-B1 Substituted cinnamic acid guanidides, process for their preparation, their use as cardiovascualr medicament or diagnostic agent, as well as medicament containing them HOECHST AG (DE) 1999-11-17 EP disclosed
US-5883133-A CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0755919-A2 Substituted cinnamic acid guanidides, process for their preparation, their use as cardiovascualr medicament or diagnostic agent, as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-29 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 (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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 MAPT 2843/4885SMN1; SMN2 1683/4885ALDH1A1 2063/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R MAPT 1606/4885SMN1; SMN2 2180/4885ALDH1A1 2529/4885
US-20200397774-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 MAPT 4397/4885SMN1; SMN2 3836/4885ALDH1A1 1457/4885
US-10640506-B2 Cyclobutyl substituted pyrrolopyridine and pyrrolopyrimidines derivatives as JAK inhibitors JAK2, JAK1, JAK3 MAPT 4511/4885SMN1; SMN2 4536/4885ALDH1A1 3935/4885
US-11285140-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 MAPT 4397/4885SMN1; SMN2 3836/4885ALDH1A1 1457/4885
US-20230043959-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 MAPT 4384/4885SMN1; SMN2 3607/4885ALDH1A1 1373/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 MAPT 4397/4885SMN1; SMN2 3836/4885ALDH1A1 1457/4885

“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.