SCHEMBL24037293

SCHEMBL24037293

CC(C)(C)c1ccc2sccc2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CCR4 P51679 1/20 0.32
TNF P01375 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
DYRK1A Q13627 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
SCHEMBL424668 0.72 CYP1A2 (0.41) ADORA2AADORA1DYRK1A
SCHEMBL16976848 0.72 DYRK1A (0.32) DYRK1A
SCHEMBL18937629 0.72 CCR4 (0.33) CCR4DYRK1A
SCHEMBL24037449 0.69 CCR4 (0.33) CCR4
SCHEMBL22990772 0.69 NCF1 (0.45) ADORA2AADORA1CA2DYRK1A
SCHEMBL7708390 0.69 ADORA3 (0.36) ADORA2AADORA1DYRK1A
SCHEMBL22430450 0.69 ADORA2A (0.50) ADORA2AADORA1
SCHEMBL2811269 0.68 AXL (0.36) ADORA2AADORA1DYRK1A
SCHEMBL29480807 0.68 AXL (0.36) ADORA2AADORA1DYRK1A
SCHEMBL5174321 0.68 DYRK1A (0.32) DYRK1A

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-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 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 (3 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 ADORA2A 3174/4885ADORA1 3289/4885CCR4 4551/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 ADORA2A 4009/4885ADORA1 2261/4885CCR4 3801/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 ADORA2A 3198/4885ADORA1 3333/4885CCR4 4613/4885

“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.