SCHEMBL206725

SCHEMBL206725

Clc1ccc2c[c][nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
CMA1 P23946 1/20 0.48
NOS1 P29475 2/20 0.45
DYRK1A Q13627 1/20 0.45
ALDH1A1 P00352 5/20 0.43
PSMB8 P28062 4/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HAVCR2 Q8TDQ0 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
DAO P14920 2/20 0.40
F11 P03951 1/20 0.39
CYP2A6 P11509 1/20 0.39
F7 P08709 1/20 0.39
LTA4H P09960 1/20 0.39
F3 P13726 1/20 0.39
NR4A2 P43354 1/20 0.39

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
SCHEMBL207489 0.84 F7 (0.50) AHRCMA1NOS1DYRK1AALDH1A1
SCHEMBL2715277 0.73 ALDH1A1 (0.39) ALDH1A1HPGDTSHRHSD17B10GRIN2D
SCHEMBL6959510 0.73 TYR (0.48) ALOX15POLBTSHRHSD17B10GAA
SCHEMBL207534 0.73 AHR (0.48) AHRNOS1DYRK1AALDH1A1CYP2A6
SCHEMBL207104 0.73 AHR (0.48) AHRALDH1A1HPGDTSHRHSD17B10
SCHEMBL207188 0.73 CYP1A2 (0.46) ALDH1A1HPGDPOLBHSD17B10DAO
SCHEMBL207242 0.71 ALDH1A1 (0.56) ALDH1A1HPGDDAOGRIN2DGRIN3B
SCHEMBL6959490 0.68 APP (0.45) ALDH1A1ALOX15TSHRHSD17B10KDM4E
SCHEMBL6958413 0.68 CYP1A2 (0.45) ALDH1A1DAOCYP2A6KDM4ECYP1A2
SCHEMBL6354139 0.68 GAA (0.43) CYP2A6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3321262-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-13 EP claimed
CN-106349217-B Serine/threonine kinase inhibitors 阵列生物制药公司 2020-08-28 CN claimed
CN-111170954-A Phenalenone compounds and application thereof 大连理工大学 2020-05-19 CN claimed
EP-3321262-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2018-05-16 EP claimed
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-05-10 US claimed
US-9259470-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-02-16 US claimed
EP-2820009-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2015-01-07 EP claimed
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2014-09-04 US claimed
US-8697715-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-04-15 US claimed
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2013-09-26 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1373204-A2 HETEROCYCLIC COMPOUNDS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-01-02 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed
WO-2002072548-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS HISTAMINE H4 LIGANDS. ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 WO claimed
US-5210022-A Substrates sensitive to beta-galactosidase and beta-glucuronidase, quantitative analysis RCR SCIENTIFIC, INC. (US) 1993-05-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050020645-A1 Diamine derivatives C9, C1S, C1R AHR 3277/4885CMA1 2177/4885NOS1 151/4885
US-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 AHR 202/4885CMA1 4/4885NOS1 7/4885
US-20140249127-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AHR 4684/4885CMA1 2031/4885NOS1 1826/4885
US-20180127393-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AHR 4684/4885CMA1 2031/4885NOS1 1826/4885
US-20130252934-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K11, TTBK1 AHR 4684/4885CMA1 2031/4885NOS1 1826/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 AHR 1893/4885CMA1 1162/4885NOS1 287/4885

“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.