SCHEMBL22694094

SCHEMBL22694094

BC(B)(B)Oc1cc(Nc2nc(NC3CCOCC3)c(CC)nc2C(N)=O)ccc1N1CCC(N2CCN(C)CC2)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 14/20 0.85
EML4 Q9HC35 13/20 0.85
ALK Q9UM73 13/20 0.85
RET P07949 12/20 0.85
ROS1 P08922 12/20 0.85
AXL P30530 2/20 0.85
ETV6 P41212 2/20 0.85
BMPR1B O00238 1/20 0.85
PLK4 O00444 1/20 0.85
CIT O14578 1/20 0.85
AURKA O14965 1/20 0.85
GAK O14976 1/20 0.85
EPHB6 O15197 1/20 0.85
RIPK2 O43353 1/20 0.85
BUB1 O43683 1/20 0.85
SNRNP200 O75643 1/20 0.85
STK16 O75716 1/20 0.85
STK10 O94804 1/20 0.85
MAP4K4 O95819 1/20 0.85
LATS1 O95835 1/20 0.85

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
SCHEMBL23169417 0.94 FLT3 (0.75) FLT3EML4ALKRETROS1
SCHEMBL21426963 0.94 FLT3 (0.86) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL29432551 0.92 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL282229 0.92 FLT3 (1.00) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL29355822 0.92 FLT3 (1.00) FLT3EML4ALKRETROS1
SCHEMBL23169088 0.90 FLT3 (0.69) FLT3EML4ALKRETROS1
Gilteritinib SCHEMBL22684910 0.90 FLT3 (0.91) FLT3EML4ALKRETROS1
SCHEMBL25483843 0.90 FLT3 (0.86) FLT3EML4ALKRETROS1
SCHEMBL22694087 0.89 FLT3 (0.87) FLT3EML4ALKRETROS1
SCHEMBL328303 0.89 FLT3 (0.94) FLT3EML4ALKRETROS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZHEN TARGETRX, INC. (CN) 2023-05-04 US disclosed
US-11512074-B2 Substituted diamino heterocyclic carboxamide compound and a composition containing the compound and use thereof SHENZHEN TARGETRX, INC. (CN) 2022-11-29 US disclosed
US-20210094939-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF SHENZEN TARGETRX, INC. (CN) 2021-04-01 US disclosed
EP-3741753-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2020-11-25 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 (3 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-20230138863-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 FLT3 1/4885EML4 1217/4885ALK 14/4885
US-11512074-B2 Substituted diamino heterocyclic carboxamide compound and a composition containing the compound and use thereof FLT3, AXL, ABL1 FLT3 1/4885EML4 1217/4885ALK 14/4885
US-20210094939-A1 SUBSTITUTED DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND AND A COMPOSITION CONTAINING THE COMPOUND AND USE THEREOF FLT3, AXL, ABL1 FLT3 1/4885EML4 1217/4885ALK 14/4885

“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.