SCHEMBL21808034

SCHEMBL21808034

COc1ccc(N)c(C#N)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
KDM4E B2RXH2 7/20 0.44
USP2 O75604 3/20 0.44
PRKCZ Q05513 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
IDO1 P14902 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HPGD P15428 5/20 0.39
EP300 Q09472 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL21886863 0.81 PDE3A (0.44) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL10757785 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL31503799 0.78 KDM4E (0.44) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL21563533 0.78 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL31432595 0.78 EPAS1 (0.40) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL15819818 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL6385563 0.74 ADORA1 (0.38) ALDH1A1KDM4EUSP2MEN1KMT2A
SCHEMBL19877832 0.74 KDM4E (0.44) ALDH1A1KDM4EUSP2PRKCZMEN1
SCHEMBL17276035 0.74 MAPT (0.47) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL620373 0.73 ALDH1A1 (0.54) ALDH1A1KDM4EUSP2PRKCZMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4523755-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2025-03-19 EP disclosed
EP-4360713-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-10-30 EP disclosed
CN-118255772-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2024-06-28 CN disclosed
EP-4360713-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2024-05-01 EP disclosed
EP-3853220-B1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN LA ROCHE (CH) 2024-01-03 EP disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2023-09-21 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-11723908-B2 Quinazoline derivatives as antitumor agents SUZHOU ZANRONG PHARMA LIMITED (CN) 2023-08-15 US disclosed
US-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2021-12-16 US disclosed
US-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2021-12-16 US disclosed
EP-3853220-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS Suzhou Zanrong Pharma Limited (CN) 2021-07-28 EP disclosed
CN-112654612-A Quinazoline derivatives as antitumor agents 苏州赞荣医药科技有限公司 2021-04-13 CN disclosed
WO-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 WO disclosed
WO-2020057511-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS SUZHOU ZANRONG PHARMA LIMITED (CN) 2020-03-26 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 (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-20210386742-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ALDH1A1 3405/4885KDM4E 3671/4885USP2 3574/4885
US-11723908-B2 Quinazoline derivatives as antitumor agents ABL1, TP53, JAK1 ALDH1A1 3405/4885KDM4E 3671/4885USP2 3574/4885
US-20230293533-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ABL1, TP53, JAK1 ALDH1A1 3405/4885KDM4E 3671/4885USP2 3574/4885

“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.