SCHEMBL24037307

SCHEMBL24037307

CC(C)(C)c1coc2ccnc-2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.33
▸ CCR5 P51681 2/20 0.33
▸ CCR8 P51685 2/20 0.33
▸ METAP2 P50579 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KIF11 P52732 2/20 0.31
▸ PDGFRA P16234 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ MAPKAPK2 P49137 1/20 0.30
▸ AURKB Q96GD4 1/20 0.30
▸ CSNK1G1 Q9HCP0 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 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
SCHEMBL29453375 0.73 CCR1 (0.48) CCR1CCR5CCR8METAP2KIF11
SCHEMBL347025 0.73 CCR1 (0.48) CCR1CCR5CCR8METAP2KIF11
SCHEMBL29373631 0.73 CCR1 (0.48) CCR1CCR5CCR8METAP2KIF11
Lithium SCHEMBL31260758 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
SCHEMBL117845 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
Hydrochloric Acid SCHEMBL30917887 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
SCHEMBL335953 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
SCHEMBL23459202 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
SCHEMBL2783812 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1
Hydrochloric Acid SCHEMBL23538061 0.71 CCR1 (0.46) CCR1CCR5CCR8METAP2L3MBTL1

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
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

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 CCR1 3513/4885CCR5 1236/4885CCR8 4235/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 CCR1 3639/4885CCR5 1369/4885CCR8 4256/4885

“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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