SCHEMBL3979754

SCHEMBL3979754

c1ccc(Oc2ncnc3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.69
RAB9A P51151 3/20 0.67
NPC1 O15118 1/20 0.67
TSHR P16473 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 2/20 0.56
HTT P42858 1/20 0.56
TRPA1 O75762 1/20 0.56
KDR P35968 3/20 0.55
TEK Q02763 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.54
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL3635988 0.88 EGFR (0.62) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3977060 0.86 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL8200916 0.86 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3106181 0.86 EGFR (0.57) EGFRRAB9ANPC1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL4731344 0.84 EGFR (0.56) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL1387173 0.84 EGFR (0.61) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3976229 0.84 EGFR (0.59) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL11286630 0.83 RAB9A (0.56) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL30117812 0.83 EGFR (0.58) EGFRRAB9ANPC1TSHRL3MBTL1
SCHEMBL3980790 0.82 EGFR (0.54) EGFRRAB9ANPC1TSHRL3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114031561-B 4-phenoxy-containing quinazoline compound and application thereof 江西科技师范大学 2022-12-02 CN claimed
CN-114031561-A 4-phenoxy-containing quinazoline compound and application thereof 江西科技师范大学 2022-02-11 CN claimed
WO-2023085225-A1 METHOD FOR MANUFACTURING RECYCLED RESIN COMPOSITION 住友化学株式会社 2023-05-19 WO disclosed
CN-114031561-B 4-phenoxy-containing quinazoline compound and application thereof 江西科技师范大学 2022-12-02 CN disclosed
CN-114031561-A 4-phenoxy-containing quinazoline compound and application thereof 江西科技师范大学 2022-02-11 CN disclosed
CN-104211649-A Preparation method of quinazoline-4(3H)-ketone and application UNIV FUDAN 2014-12-17 CN disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-11-26 US disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
WO-2009058937-A2 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION WYETH (US) 2009-05-07 WO disclosed
US-6630489-B1 Quinoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
EP-1157008-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS AstraZeneca AB (SE) 2001-11-28 EP disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
EP-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 US disclosed
WO-2000050405-A1 QUINOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2000-08-31 WO disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 EGFR 265/4885RAB9A 1540/4885NPC1 284/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 EGFR 265/4885RAB9A 1540/4885NPC1 284/4885
US-20090291971-A1 HETEROARYL ETHERS AND PROCESSES FOR THEIR PREPARATION AHR, MALT1, ABL1 EGFR 456/4885RAB9A 3568/4885NPC1 3538/4885

“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.