SCHEMBL15849385

SCHEMBL15849385

Cc1ccnc(C(F)(F)F)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.40
NOS3 P29474 5/20 0.40
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
HTT P42858 3/20 0.34
HSD17B10 Q99714 1/20 0.34
EPHX2 P34913 1/20 0.33
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 3/20 0.32
TSHR P16473 1/20 0.32
P2RX7 Q99572 3/20 0.32
NOS1 P29475 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL18988701 0.85 CCR1 (0.35) NOS2NOS3CCR1CCR5CCR8
SCHEMBL11955166 0.83 CCR1 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL28257885 0.80 NOS2 (0.46) NOS2NOS3CCR1CCR5CCR8
Ammonia Solution, Strong SCHEMBL28593822 0.78 NOS3 (0.45) NOS2NOS3CCR1CCR5CCR8
SCHEMBL23508729 0.77 SMN1; SMN2 (0.38) NOS2NOS3CCR1CCR5CCR8
SCHEMBL29778842 0.77 CCR1 (0.35) NOS2NOS3CCR1CCR5CCR8
SCHEMBL21597043 0.77 CCR1 (0.35) NOS2NOS3CCR1CCR5CCR8
SCHEMBL30637060 0.76 HTT (0.35) NOS2NOS3SMN1; SMN2HTTHSD17B10
SCHEMBL25144384 0.75 SMN1; SMN2 (0.37) NOS2NOS3CCR1CCR5CCR8
SCHEMBL13195737 0.75 JAK2 (0.33) NOS2NOS3CCR1CCR5CCR8

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 17 patents. 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
US-11912686-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2024-02-27 US disclosed
EP-4227307-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS Genzyme Corporation (US) 2023-08-16 EP disclosed
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF GILEAD SCIENCES, INC. 2023-07-06 US disclosed
WO-2023114954-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORPORATION (US) 2023-06-22 WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
US-11584738-B2 LPA receptor antagonists and uses thereof GILEAD SCIENCES, INC. (US) 2023-02-21 US disclosed
EP-3715347-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2021-12-22 EP 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
EP-3354652-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2018-08-01 EP disclosed
EP-3050882-B1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS INCYTE HOLDINGS CORP (US) 2018-01-31 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-11584738-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 NOS2 4714/4885NOS3 4638/4885CCR1 1029/4885
US-20140275031-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NOS2 668/4885NOS3 1048/4885CCR1 566/4885
US-20170246157-A1 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS JAK1, JAK2, JAK3 NOS2 668/4885NOS3 1048/4885CCR1 566/4885
US-10695337-B2 Piperidin-4-yl azetidine derivatives as JAK1 inhibitors JAK1, JAK2, JAK3 NOS2 668/4885NOS3 1048/4885CCR1 566/4885
US-20230212151-A1 LPA RECEPTOR ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR4 NOS2 4714/4885NOS3 4638/4885CCR1 1029/4885
US-11912686-B2 LPA receptor antagonists and uses thereof LPAR1, LPAR2, LPAR4 NOS2 4714/4885NOS3 4638/4885CCR1 1029/4885

“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.