SCHEMBL24200629

SCHEMBL24200629

Fc1ccc(F)c([C@H]2C[C@H](F)CN2c2ccc3ncc(Cl)c(-c4cnn([C@H]5CCCNC5)c4)c3n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.43
NTRK1 P04629 10/20 0.39
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
ALK Q9UM73 4/20 0.34
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
JAK3 P52333 2/20 0.34
AXL P30530 2/20 0.34
MST1R Q04912 2/20 0.34
MAP4K3 Q8IVH8 2/20 0.33
NUDT1 P36639 1/20 0.33
BMPR1B O00238 1/20 0.33
PLK4 O00444 1/20 0.33
RIOK3 O14730 1/20 0.33
IKBKB O14920 1/20 0.33
CASK O14936 1/20 0.33
AURKA O14965 1/20 0.33
DCLK1 O15075 1/20 0.33

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
SCHEMBL22013123 1.00 MET (0.43) METNTRK1CCNT1CDK9ALK
SCHEMBL22013093 1.00 MET (0.43) METNTRK1CCNT1CDK9ALK
SCHEMBL22013083 0.96 MET (0.42) METNTRK1ALKJAK2JAK1
SCHEMBL24200627 0.96 MET (0.42) METNTRK1ALKJAK2JAK1
SCHEMBL22013094 0.96 MET (0.42) METNTRK1ALKJAK2JAK1
SCHEMBL29692841 0.93 MET (0.39) METNTRK1ALKJAK2JAK1
SCHEMBL22013167 0.93 MET (0.39) METNTRK1ALKJAK2JAK1
SCHEMBL29692817 0.92 ALK (0.42) METNTRK1ALKJAK2JAK1
SCHEMBL22013271 0.92 ALK (0.42) METNTRK1ALKJAK2JAK1
SCHEMBL22013068 0.88 NTRK1 (0.39) METNTRK1JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 MET 116/4885NTRK1 40/4885CCNT1 3085/4885

“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.