SCHEMBL174080

SCHEMBL174080

Nc1c(Cl)ccc2c1OCO2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
EPHB4 P54760 8/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ACVRL1 P37023 3/20 0.35
AOC3 Q16853 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL30072905 1.00 TXNRD1 (0.37) TXNRD1TXNRD3TXNRD2EPHB4ABCG2
Hydrochloric Acid SCHEMBL5090020 0.98 TXNRD1 (0.36) TXNRD1TXNRD3TXNRD2EPHB4ABCG2
SCHEMBL16703954 0.83 MAPT (0.37) ALDH1A1HSD17B10TDP1
SCHEMBL11547575 0.78 TXNRD1 (0.39) TXNRD1TXNRD3TXNRD2ABCG2AOC3
Hydrochloric Acid SCHEMBL30749426 0.77 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2ABCG2AOC3
Hydrochloric Acid SCHEMBL31668880 0.77 TXNRD1 (0.38) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL14070149 0.76 TDP1 (0.44) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL25166001 0.75 AOC3 (0.42) TXNRD1TXNRD3TXNRD2EPHB4ABCG2
SCHEMBL4031896 0.75 AOC3 (0.50) TXNRD1TXNRD3TXNRD2ABCG2AOC3
SCHEMBL14012978 0.75 NQO2 (0.44) TXNRD1TXNRD3TXNRD2ABCG2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP claimed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US claimed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP claimed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US claimed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 WO claimed
US-20090099196-A1 Chemical Process ASTRAZENECA AB (SE) 2009-04-16 US claimed
CN-101115744-A Process for preparing 4- (6-chloro-2, 3-methylenedioxyanilino) -7- [ 2- (4-methylpiperazin-1-yl) ethoxy ] -5-tetrahydropyran-4-yloxyquinazoline, intermediates and crystalline salts thereof ASTRAZENECA AB (SE) 2008-01-30 CN claimed
EP-1871769-A2 PROCESS FOR THE PREPARATION OF 4-(6-CHLORO-2,3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-1-YL)ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE,THEIR INTERMEDIATES AND CRYSTALLINE SALTS THEREOF AstraZeneca AB (SE) 2008-01-02 EP claimed
WO-2006064217-A2 PROCESS FOR THE PREPARATION OF 4-(6-CHLORO-2, 3-METHYLENEDIOXYANILINO)-7-[2-(4-METHYLPIPERAZIN-l-YL) ETHOXY]-5-TETRAHYDROPYRAN-4-YLOXYQUINAZOLINE , THEIR INTERMEDIATES AND CRYSTALLINE SALTS THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO claimed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 US disclosed
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability WAYSHINE BIOPHARM HOLDING LIMITED (KY) 2023-08-01 US disclosed
CN-113105475-B Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2022-09-09 CN disclosed
EP-3778589-B1 5-SUBSTITUTED DIFLUOROPIPERIDINE COMPOUND CAPABLE OF PASSING THROUGH BLOOD-BRAIN BARRIER WEISHANG SHANGHAI BIO PHARMACEUTICAL CO LTD (CN) 2022-05-11 EP disclosed
CN-113105475-A Inhibitors of bruton's tyrosine kinase and methods of use thereof 詹森药业有限公司 2021-07-13 CN disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2001094341-A9 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2003-04-17 WO disclosed
EP-1292594-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AstraZeneca AB (SE) 2003-03-19 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 WO disclosed
WO-2001094341-A1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2001-12-13 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-20090099196-A1 Chemical Process CYP3A5, CYP3A43, CYP3A7 TXNRD1 4069/4885TXNRD3 3674/4885TXNRD2 4618/4885
US-11713306-B2 5-substituted difluoropiperidine compounds with blood-brain barrier penetrable capability FYN, KDR, FLT1 TXNRD1 4014/4885TXNRD3 4666/4885TXNRD2 3727/4885
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX TXNRD1 2023/4885TXNRD3 2990/4885TXNRD2 2201/4885

“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.