SCHEMBL2171367

SCHEMBL2171367

COc1cc2nc(Cl)nc(O)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.57
KDR P35968 7/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.50
TNF P01375 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
PDE4A P27815 1/20 0.45
PDE4D Q08499 1/20 0.45
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ACHE P22303 1/20 0.42

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
SCHEMBL30636665 1.00 EGFR (0.57) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL30636666 0.81 PDE4A (0.47) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL29532044 0.81 SMN1; SMN2 (0.56) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL2330774 0.81 PDE4A (0.47) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL294809 0.81 SMN1; SMN2 (0.56) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL372023 0.80 PDE4A (0.62) EGFRKDRSMN1; SMN2KDM4EPDE4A
SCHEMBL3318468 0.80 SMN1; SMN2 (0.55) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL11320298 0.80 SMN1; SMN2 (0.55) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL29642054 0.79 POLB (0.59) EGFRKDRHTTSMN1; SMN2ALDH1A1
SCHEMBL611438 0.79 POLB (0.59) EGFRKDRHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108276393-B Synthesis method of doxazosin impurity 合肥华方医药科技有限公司 2021-03-23 CN claimed
CN-116854674-A Preparation method of terazosin hydrochloride and intermediate thereof 迪嘉药业集团股份有限公司 2023-10-10 CN disclosed
CN-108276393-B Synthesis method of doxazosin impurity 合肥华方医药科技有限公司 2021-03-23 CN disclosed
CN-108276393-B Synthesis method of doxazosin impurity 合肥华方医药科技有限公司 2021-03-23 CN disclosed
CN-108276395-B Preparation method of doxazosin impurity 合肥华方医药科技有限公司 2021-02-26 CN disclosed
CN-108276393-A A kind of synthetic method of Doxazosin impurity 合肥华方医药科技有限公司 2018-07-13 CN disclosed
CN-108276395-A A kind of preparation method of Doxazosin impurity 合肥华方医药科技有限公司 2018-07-13 CN disclosed
CN-102216283-B Quinazoline derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2013-11-27 CN disclosed
EP-2346848-B1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
US-8318749-B2 Quinazoline derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
CN-102216283-A Quinazoline derivatives as NK3 receptor antagonists HOFFMANN LA ROCHE 2011-10-12 CN disclosed
EP-2346848-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-07-27 EP disclosed
US-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-05-20 US disclosed
WO-2010054968-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-05-20 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-20100125078-A1 QUINAZOLINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS SLC6A3, OPRK1, HTR3A EGFR 2117/4885KDR 867/4885HTT 737/4885

“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.