SCHEMBL25222648

SCHEMBL25222648

O=C(O)N[C@H]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CDK2 P24941 4/20 0.36
▸ FFAR2 O15552 2/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ HCAR3 P49019 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GLS O94925 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ HTT P42858 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
SCHEMBL25597956 0.84 BTK (0.47) CDK2FFAR2CCNT1CDK7CDK9
SCHEMBL3790321 0.71 FFAR2 (0.51) CDK2FFAR2MEN1KMT2ASMN1; SMN2
SCHEMBL31728303 0.71 MAPK1 (0.46) CDK2FFAR2CCNT1CDK7CDK9
Hydrochloric Acid SCHEMBL31729268 0.70 MAPK1 (0.45) CDK2CCNT1CDK7CDK9CCNH
SCHEMBL5433248 0.68 EPHX1 (0.44) GRM5SMN1; SMN2BTKHTT
SCHEMBL5433253 0.68 EPHX1 (0.44) GRM5SMN1; SMN2BTKHTT
SCHEMBL17504487 0.68 EPHX1 (0.44) GRM5SMN1; SMN2BTKHTT
SCHEMBL5433245 0.68 EPHX1 (0.44) GRM5SMN1; SMN2BTKHTT
SCHEMBL15709891 0.68 GRM5 (0.44) GRM5HCAR3BTK
SCHEMBL17504509 0.66 KMT2A (0.64) GRM5KMT2ABTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS INCYTE CORPORATION 2023-06-29 — — US disclosed
WO-2023102184-A1 BICYCLIC AMINE COMPOUNDS AS CDK12 INHIBITORS INCYTE CORPORATION (US) 2023-06-08 — — 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 (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-20230203010-A1 BICYCLIC AMINE CDK12 INHIBITORS CDK12, CDK1, CDK2 LCK 356/4885MAPK14 405/4885CDK2 3/4885

“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