SCHEMBL24037298

SCHEMBL24037298

CC(C)c1cc2cncc-2cs1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ HPGD P15428 4/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX12 P18054 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GLA P06280 1/20 0.38
▸ CYP2A6 P11509 6/20 0.36
▸ DYRK1B Q9Y463 2/20 0.33
▸ DYRK1A Q13627 1/20 0.32
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL14734080 0.81 BACE1 (0.44) CYP2A6GRM5
SCHEMBL17540830 0.78 DYRK1A (0.62) ALDH1A1SMN1; SMN2CYP2A6DYRK1BDYRK1A
SCHEMBL17540831 0.78 MAPT (0.44) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL26244770 0.72 ALDH1A1 (0.44) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL26827982 0.72 ALDH1A1 (0.39) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL20286594 0.71 ALDH1A1 (0.47) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL27316389 0.71 DYRK1A (0.51) ALDH1A1HPGDMAPTLMNAGAA
SCHEMBL11890585 0.69 — —
SCHEMBL7015094 0.69 — —
SCHEMBL26245691 0.68 ALDH1A1 (0.38) ALDH1A1HPGDMAPTLMNAGAA

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-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 — — US disclosed
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-09-21 — — 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 ALDH1A1 4269/4885HPGD 713/4885MAPT 2629/4885
US-20230295167-A1 POTENT AND SELECTIVE INHIBITORS OF HER2 ERBB2, EGFR, ERBB3 ALDH1A1 3126/4885HPGD 1122/4885MAPT 2745/4885
US-20210355119-A1 CYANO QUINOLINE AMIDE COMPOUNDS AS HER2 INHIBITORS AND METHODS OF USE ERBB2, EGFR, ERBB3 ALDH1A1 4263/4885HPGD 736/4885MAPT 2804/4885

“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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