SCHEMBL22110657

SCHEMBL22110657

NCC(Cn1ncn(-c2ccccn2)c1=O)=C(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ CHEK1 O14757 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ FYN P06241 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ MET P08581 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ PRKACA P17612 1/20 0.34

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
SCHEMBL22110632 0.83 — —
SCHEMBL22090805 0.82 SCD (0.30) SCD
SCHEMBL22110597 0.82 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2
SCHEMBL22090936 0.81 ALOX5 (0.31) SCD
SCHEMBL22110651 0.79 PPARD (0.36) —
SCHEMBL22110645 0.78 SCD (0.35) SCDHTTEP300KAT2B
SCHEMBL22090988 0.77 — —
SCHEMBL22090803 0.76 PPARD (0.42) POLBSCD
SCHEMBL22110594 0.73 ROCK2 (0.38) KDM4ETSHRHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL22110598 0.72 — —

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 — — US disclosed
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-08-01 — — US disclosed
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2023-02-09 — — US disclosed
US-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-11-09 — — US disclosed
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-07-16 — — US disclosed
WO-2020121261-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2020-06-18 — — WO 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 (4 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-11168073-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 POLB 1747/4885CHEK1 4388/4885AURKA 4651/4885
US-20230044255-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 POLB 1747/4885CHEK1 4388/4885AURKA 4651/4885
US-20200223827-A1 3,3-DIFLUOROALLYLAMINES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME VAPA, VAPB, SLC10A1 POLB 1747/4885CHEK1 4388/4885AURKA 4651/4885
US-11713308-B2 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same VAPA, VAPB, SLC10A1 POLB 1747/4885CHEK1 4388/4885AURKA 4651/4885

“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