SCHEMBL21567478

SCHEMBL21567478

Cc1ccnc(Br)c1N=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.35
▸ CCR5 P51681 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ NOS3 P29474 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ MAPT P10636 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32
▸ TRIM24 O15164 1/20 0.31
▸ TRIM33 Q9UPN9 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL12051932 0.75 MAPT (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL19363563 0.75 NCF1 (0.32) MAPTPDE3BPDE3ATRIM24TRIM33
SCHEMBL12051931 0.75 RXFP1 (0.36) CCR1CCR5CCR8NOS3NOS2
SCHEMBL12528205 0.75 NOS2 (0.54) CCR1CCR5CCR8NOS3NOS2
SCHEMBL10329935 0.72 CCNA2 (0.38) CCR1CCR5CCR8NOS3NOS2
SCHEMBL3015741 0.70 — —
SCHEMBL29490275 0.70 — —
SCHEMBL2483892 0.70 — —
SCHEMBL29843421 0.70 — —
SCHEMBL24455242 0.69 NOS2 (0.43) CCR1CCR5CCR8NOS3NOS2

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-11090304-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2021-08-17 — — US disclosed
US-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2019-11-14 — — 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 (2 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-20190343838-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS CCR1 2507/4885CCR5 3349/4885CCR8 2821/4885
US-11090304-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS CCR1 2507/4885CCR5 3349/4885CCR8 2821/4885

“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.

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