SCHEMBL2634187

SCHEMBL2634187

Nc1noc2ccc(C(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.58
▸ AKT1 P31749 1/20 0.46
▸ TBK1 Q9UHD2 1/20 0.42
▸ KIT P10721 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ FLT3 P36888 2/20 0.40
▸ NOS3 P29474 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL30410154 1.00 EPHX2 (0.58) EPHX2AKT1TBK1KITKDR
SCHEMBL18302280 0.86 EPHX2 (0.56) EPHX2AKT1TBK1KITKDR
SCHEMBL12025165 0.82 ALDH1A1 (0.43) EPHX2AKT1
SCHEMBL13202676 0.79 EPHX2 (0.58) EPHX2BRD4
SCHEMBL13893639 0.77 NPC1 (0.38) EPHX2AKT1F2F10
SCHEMBL6088948 0.76 PIKFYVE (0.37) EPHX2AKT1F2F10
SCHEMBL2441701 0.76 HTR3A (0.40) —
SCHEMBL8358457 0.75 NPC1 (0.45) KITKDRFLT3
SCHEMBL18015728 0.75 EPHX2 (0.54) EPHX2
SCHEMBL12031404 0.75 AKT1 (0.41) EPHX2AKT1F2F10

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
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
WO-2023081661-A1 BICYCLIC DERIVATIVES AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
WO-2023081661-A1 BICYCLIC DERIVATIVES AS CCR2 MODULATORS ARIA PHARMACEUTICALS, INC. (US) 2023-05-11 — — WO disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 — — EP disclosed
EP-2580208-B1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 — — EP disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 — — US disclosed
US-8436023-B2 Cyclohexyl-azetidinyl antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-07 — — US disclosed
EP-2580208-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2013-04-17 — — EP disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 — — WO disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 — — US disclosed
WO-2011156554-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2011-12-15 — — WO disclosed
US-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2011-12-15 — — 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 (1 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-20110306592-A1 CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 EPHX2 322/4885AKT1 3431/4885TBK1 3267/4885

“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.

Send feedback