SCHEMBL3440569

SCHEMBL3440569

FC1(F)CCN(CC2CCNCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
TYK2 P29597 1/20 0.39
GBA1 P04062 2/20 0.38
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 1/20 0.32
OPRK1 P41145 1/20 0.32
NPY1R P25929 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2C P18825 1/20 0.31
EPHX2 P34913 1/20 0.31
GNAO1 P09471 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 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
SCHEMBL22462890 0.89 GBA1 (0.40) JAK2JAK1JAK3GBA1ARG1
Hydrochloric Acid SCHEMBL28536617 0.87 GBA1 (0.39) JAK2JAK1JAK3GBA1CACNA2D1
SCHEMBL25133954 0.77 GBA1 (0.37) GBA1ARG1ARG2CACNA2D1CACNA1B
Hydrochloric Acid SCHEMBL26984381 0.77 TLR9 (0.34) JAK2JAK1JAK3GBA1CACNA2D1
SCHEMBL27420255 0.75 ACHE (0.36) GBA1ARG1ARG2CACNA2D1CACNA1B
SCHEMBL25924736 0.75 TSHR (0.57) GBA1OPRM1OPRL1
SCHEMBL26546510 0.74 CHRM5 (0.38) JAK2JAK1JAK3GBA1CACNA2D1
SCHEMBL14422030 0.74 GBA1 (0.48) GBA1ARG1ARG2CACNA2D1CACNA1B
SCHEMBL19951459 0.73 DPP4 (0.35) JAK2JAK1JAK3TYK2OPRM1
SCHEMBL19780187 0.73 SLC6A4 (0.33) JAK2JAK1JAK3TYK2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2025-07-10 US disclosed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
US-12187731-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-07 US disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
US-11370798-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-06-28 US disclosed
US-11117900-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-14 US disclosed
EP-3486245-B1 2-AMINO-N-(PIPERIDIN-1-YL-PYRIDIN-3-YL) PYRAZOLO[1,5ALPHA]PYRIMIDINE-3-CARBOXAMID AS INHIBITOR OF ATR KINASE VERTEX PHARMA (US) 2021-04-28 EP disclosed
EP-2941432-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2015-11-11 EP disclosed
US-20150291601-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-10-15 US disclosed
US-8957078-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-17 US disclosed
WO-2014089379-A9 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
US-20140275009-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-09-18 US disclosed
WO-2014143241-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-18 WO disclosed
US-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-09-04 US disclosed
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2014-06-12 US disclosed
WO-2014089379-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 WO disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 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 (9 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-20140249157-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 JAK2 302/4885JAK1 291/4885JAK3 480/4885
US-20140163000-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 JAK2 302/4885JAK1 291/4885JAK3 480/4885
US-11117900-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 JAK2 284/4885JAK1 269/4885JAK3 460/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 JAK2 302/4885JAK1 291/4885JAK3 480/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 JAK2 284/4885JAK1 269/4885JAK3 460/4885
US-20150291601-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 JAK2 306/4885JAK1 308/4885JAK3 479/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 JAK2 302/4885JAK1 291/4885JAK3 480/4885
US-11370798-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, TBK1 JAK2 284/4885JAK1 269/4885JAK3 460/4885
US-20140275009-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 JAK2 306/4885JAK1 308/4885JAK3 479/4885

“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.