SCHEMBL4425396

SCHEMBL4425396

COc1cc(C(=O)O)ccc1OCC1CCN(C)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
TPMT P51580 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
PDE4B Q07343 9/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DPP4 P27487 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDE4A P27815 2/20 0.49
PDE4C Q08493 2/20 0.49
PDE4D Q08499 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.49

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
SCHEMBL15596058 0.90 TSHR (0.66) TSHRCA12CA1CA2CA4
SCHEMBL29670247 0.90 TSHR (0.66) TSHRCA12CA1CA2CA4
SCHEMBL21473561 0.89 PDE4B (0.51) TSHRPDE4BMEN1KMT2AKDM4E
SCHEMBL30017688 0.89 PDE4B (0.51) TSHRPDE4BMEN1KMT2AKDM4E
SCHEMBL6940040 0.87 TSHR (0.62) TSHRCA12CA1CA2CA4
SCHEMBL1614670 0.86 HTR4 (0.55) TSHRPDE4BKMT2AALDH1A1PDE4A
SCHEMBL30575456 0.84 CA12 (0.63) TSHRCA12CA1CA2CA4
SCHEMBL1031663 0.84 CA12 (0.63) TSHRCA12CA1CA2CA4
SCHEMBL4431949 0.83 PDE4A (0.57) TSHRCA12CA1CA2CA4
SCHEMBL30863550 0.82 RBP4 (0.47) TSHRPDE4BKDM4EMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778586-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF East China University of Science and Technology (CN) 2021-02-17 EP disclosed
US-7498335-B2 Method of producing an antiangiogenic or vascular permeability reducing effect ASTRAZENECA AB (CH) 2009-03-03 US disclosed
EP-1296973-B1 GUANIDINE DERIVATIVES OF QUINAZOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2008-11-05 EP disclosed
EP-1381599-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2008-09-24 EP disclosed
EP-1218353-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LTD (GB) 2007-10-17 EP disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
EP-1272185-B1 USE OF QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-07-27 EP disclosed
US-20040138240-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20030225111-A1 Therapy ASTRAZENECA AB (SE) 2003-12-04 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 (2 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-20040138240-A1 Quinazoline derivatives NQO2, WEE1, CMA1 TSHR 4122/4885CA12 1147/4885CA1 771/4885
US-20030225111-A1 Therapy VEGFA, AQP1, FLT1 TSHR 2646/4885CA12 1090/4885CA1 524/4885

“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.