SCHEMBL22337882

SCHEMBL22337882

CC(C)(C)c1cn2nccc2cn1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL15296584 0.76 CYP2A6 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL18949210 0.74 NPC1 (0.31)
SCHEMBL25421716 0.71 GAA (0.35)
SCHEMBL22337813 0.71
SCHEMBL3764683 0.71 AXL (0.33)
SCHEMBL20852941 0.70 SCN5A (0.36)
SCHEMBL22607305 0.70 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL24569343 0.70 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3
SCHEMBL24565969 0.70 ACVR2A (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL26751944 0.70 SLC6A2 (0.30) SLC6A2SLC6A4SLC6A3

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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-11-14 US disclosed
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. 2021-11-18 US disclosed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 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 (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-11814379-B2 Cyano quinoline amide compounds as HER2 inhibitors and methods of use ERBB2, EGFR, ERBB3 SLC6A2 1915/4885SLC6A4 2832/4885SLC6A3 3292/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 SLC6A2 2029/4885SLC6A4 3001/4885SLC6A3 3377/4885

“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.