SCHEMBL30133013

SCHEMBL30133013

Cc1cnc2ccc(F)cc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
PDGFRB P09619 2/20 0.42
PDGFRA P16234 2/20 0.42
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PIK3CA P42336 4/20 0.40
PIK3CD O00329 3/20 0.40
TSHR P16473 1/20 0.40
MTOR P42345 3/20 0.39
MPO P05164 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PSMD14 O00487 1/20 0.38
COPS5 Q92905 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 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
SCHEMBL12686649 1.00 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL12686653 0.84 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL16155307 0.84 ALDH1A1 (0.50) CYP1A2CCR1CCR5CCR8BACE1
SCHEMBL4572536 0.83 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8BACE1
SCHEMBL3868339 0.83 BACE1 (0.47) CYP1A2PDGFRBPDGFRABACE1PIK3CA
SCHEMBL12909530 0.77 EGFR (0.50) PDGFRBPDGFRABACE1KDM4EPDE3B
SCHEMBL25112013 0.77 CYP1A2 (0.45) CYP1A2CCR1CCR5CCR8PDGFRB
SCHEMBL21988901 0.76 MAP4K4 (0.54) PDGFRBPDGFRABACE1TSHRKDM4E
SCHEMBL16289408 0.76 BACE1 (0.41) CYP1A2PDGFRBPDGFRABACE1TSHR
SCHEMBL21632275 0.76 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8PDGFRB

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-4103161-B1 COMPOSITIONS AND USES THEREOF BENEVOLENTAI CAMBRIDGE LTD (GB) 2023-12-20 EP disclosed
US-20230149385-A1 COMPOSITIONS AND USES THEREOF Benevolentai Cambridge Limited (GB) 2023-05-18 US disclosed
EP-4103161-A1 COMPOSITIONS AND USES THEREOF BenevolentAI Cambridge Limited (GB) 2022-12-21 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 (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-20230149385-A1 COMPOSITIONS AND USES THEREOF PDE2A, PDE3A, PDE3B CYP1A2 1890/4885CCR1 696/4885CCR5 669/4885

“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.