SCHEMBL17338043

SCHEMBL17338043

COc1cc2c(cc1O)C(=O)CC=N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.44
MAOA P21397 3/20 0.40
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
AKR1B1 P15121 2/20 0.36
CA7 P43166 2/20 0.36
MCL1 Q07820 2/20 0.36
CA9 Q16790 2/20 0.36
CA13 Q8N1Q1 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL5217067 0.87 KDM4E (0.40) ACHEMAOAALDH1A1MAPTCA1
SCHEMBL30281224 0.87 KDM4E (0.40) ACHEMAOAALDH1A1MAPTCA1
Water SCHEMBL31616949 0.85 KDM4E (0.39) ACHEMAOAALDH1A1MAPTCA1
SCHEMBL31511963 0.81 HPGD (0.38) ALDH1A1MAPTTSHRGAAHPGD
SCHEMBL28393372 0.78 CHEK1 (0.38) ALDH1A1MAPTKDM4ERAB9A
SCHEMBL6686429 0.78 ACHE (0.47) ACHEALDH1A1MAPTCA1CA7
SCHEMBL1546879 0.72 CTSV (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL4475236 0.72 CTSV (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL31401846 0.71 PDE3B (0.46) ACHEMAOAALDH1A1CA1CA7
SCHEMBL10030674 0.70 EP300 (0.40) ACHEMAOAALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105377820-B Process for producing quinazoline derivative 神隆医药(常熟)有限公司 2020-02-07 CN disclosed
EP-3154951-A1 PROCESS FOR PREPARING QUINAZOLINE DERIVATIVE Scinopharm (Changshu) Pharmaceuticals Ltd. (CN) 2017-04-19 EP disclosed
US-9617227-B2 Process of preparing a quinazoline derivative SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2017-04-11 US disclosed
US-20160200688-A1 Process of Preparing a Quinazoline Derivative SCIANDA (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2016-07-14 US disclosed
CN-105377820-A Process for producing quinazoline derivative SCINOPHARM CHANGSHU PHARMACEUTICALS LTD 2016-03-02 CN disclosed
WO-2015188318-A1 PROCESS FOR PREPARING QUINAZOLINE DERIVATIVE SCINOPHARM (CHANGSHU) PHARMACEUTICALS, LTD. (CN) 2015-12-17 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 (1 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-20160200688-A1 Process of Preparing a Quinazoline Derivative ABL1, EGFR, KRAS ACHE 4189/4885MAOA 498/4885ALDH1A1 2355/4885

“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.