SCHEMBL4484070

SCHEMBL4484070

CC(C(=O)C(C)c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
ALOX5 P09917 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP2C19 P33261 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL9680733 0.94 PTGS2 (0.52) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL29318756 0.91 CYP1A2 (0.48) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL421564 0.84 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRPTGS2
SCHEMBL3860971 0.84 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRPTGS2
SCHEMBL5149430 0.84 PTGS2 (0.61) CYP1A2ALOX5SMN1; SMN2TSHRPTGS2
SCHEMBL12280124 0.84 CYP1A2 (0.55) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL4493827 0.82 EPHX1 (0.58) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL2291864 0.82 CYP1A2 (0.48) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL3875094 0.82 EPHX1 (0.58) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR
SCHEMBL1290070 0.80 CYP1A2 (0.47) CYP1A2ALOX5SMN1; SMN2CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109081830-A Benzimidazole substituted diphenyl pyrimidine compound and organic electroluminescent device thereof 昱镭光电科技股份有限公司 2018-12-25 CN disclosed
CN-107205391-A Histone demethylase inhibitors 赛尔基因昆蒂赛尔研究公司 2017-09-26 CN disclosed
CN-103304551-B Hepatitis AG14361 北京凯因科技股份有限公司 2017-06-13 CN disclosed
EP-1487841-B1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBVIE INC (US) 2014-01-15 EP disclosed
CN-103304551-A Hepatitis C polymerase inhibitor BEIJING KAWIN TECHNOLOGY SHARE HOLDING CO LTD 2013-09-18 CN disclosed
CN-103189353-A Hydroxamate-based inhibitors of deacetylases NOVARTIS AG 2013-07-03 CN disclosed
CN-102026988-B 3-substituted propanamines SK HOLDINGS CO LTD 2013-07-03 CN disclosed
CN-103189371-A Novel hepatitis c virus inhibitors THERAVANCE INC 2013-07-03 CN disclosed
CN-101448802-B Acrylamide derivative as histone deacetylase inhibitors for cancer treatment DAC SRL 2012-11-07 CN disclosed
CN-102026988-A 3-substituted propanamines SK HOLDINGS CO LTD 2011-04-20 CN disclosed
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors MICHAELIDES MICHAEL R 2006-12-07 US disclosed
EP-1487841-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS Abbott Laboratories (US) 2004-12-22 EP disclosed
US-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBVIE INC. 2004-01-22 US disclosed
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-12-04 US disclosed
WO-2003080625-A1 THIOPYRIMIDINE AND ISOTHIAZOLOPYRIMIDINE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2003-10-02 WO disclosed
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABBOTT LABORATORIES 2003-09-25 US disclosed
CN-1329648-A Material consisting of cyanoacrylate and aldehyde-or ketone-condensation products for adhesives, coatings and sealants HENKEL KGAA (DE) 2002-01-02 CN disclosed
CN-1252070-A 5,7-disubstituted 4-aminopyrido [2,3,-d] pyrimidine compounds and their use as adenosine kinase inhibitors ABBOTT LAB (US) 2000-05-03 CN disclosed
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 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 (4 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-20040014756-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK CYP1A2 2572/4885ALOX5 4023/4885SMN1; SMN2 4282/4885
US-20060276490-A1 Thiopyrimidine and isothiazolopyrimidine Kinase Inhibitors ABL1, LCK, ERBB2 CYP1A2 3262/4885ALOX5 3771/4885SMN1; SMN2 4409/4885
US-20030225273-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK CYP1A2 2572/4885ALOX5 4023/4885SMN1; SMN2 4282/4885
US-20030181468-A1 Thiopyrimidine and isothiazolopyrimidine kinase inhibitors ABL1, ERBB2, LCK CYP1A2 2586/4885ALOX5 3949/4885SMN1; SMN2 4369/4885

“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.