SCHEMBL21216304

SCHEMBL21216304

CCNCc1cc(OC(F)(F)F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.53
▸ PDE2A O00408 1/20 0.40
▸ RIPK1 Q13546 7/20 0.39
▸ LMNA P02545 1/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.39
▸ GLS O94925 1/20 0.39
▸ CETP P11597 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ GPR3 P46089 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
SCHEMBL22957678 0.84 ADRB2 (0.49) ADRB2GLS
SCHEMBL22957787 0.82 APLNR (0.50) ADRB2LMNAMEN1MAPTKMT2A
SCHEMBL14959716 0.82 ADRB2 (0.44) ADRB2PDE2ALMNAFFAR4MPO
SCHEMBL30483677 0.82 ADRB2 (0.54) ADRB2FFAR4GLSCETPMEN1
SCHEMBL15599254 0.82 PDE2A (0.44) ADRB2PDE2AFFAR4MPOGPR3
SCHEMBL22624065 0.81 ADRB2 (0.47) ADRB2RIPK1FFAR4GLSMEN1
SCHEMBL24018765 0.81 ADRB2 (0.46) ADRB2FFAR4GLSMEN1MAPT
SCHEMBL22957676 0.80 ADRB2 (0.46) ADRB2PDE2ARIPK1FFAR4GLS
SCHEMBL22957859 0.80 ADRB2 (0.44) ADRB2PDE2ARIPK1FFAR4GLS
SCHEMBL23761199 0.79 GLS (0.48) ADRB2RIPK1GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 — — EP disclosed
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — US disclosed
WO-2019147782-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-01 — — 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-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 ADRB2 3001/4885PDE2A 1905/4885RIPK1 1/4885

“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