SCHEMBL57031

SCHEMBL57031

Nc1cc(Cl)c([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
DHFR P00374 1/20 0.43
PDE7A Q13946 2/20 0.42
MAPT P10636 5/20 0.40
VCAM1 P19320 1/20 0.40
PIN1 Q13526 1/20 0.39
EGFR P00533 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GPR35 Q9HC97 1/20 0.38
PGK1 P00558 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 1/20 0.37

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
SCHEMBL29563051 1.00 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1DHFR
SCHEMBL16663608 0.85 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1DHFR
SCHEMBL8564866 0.82 EGFR (0.41) ALDH1A1CYP3A4TSHRMAPK1MAPT
SCHEMBL5252473 0.80 TDP1 (0.48) ALDH1A1CYP3A4TSHRMAPTEGFR
SCHEMBL29467181 0.80 TSHR (0.48) ALDH1A1CYP3A4TSHRMAPK1DHFR
SCHEMBL57316 0.80 TSHR (0.48) ALDH1A1CYP3A4TSHRMAPK1DHFR
SCHEMBL1588832 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHRMAPK1DHFR
SCHEMBL8568613 0.77 EGFR (0.39) ALDH1A1CYP3A4TSHRMAPTEGFR
SCHEMBL22498154 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4TSHRMAPTEGFR
SCHEMBL619628 0.77 TSHR (0.46) ALDH1A1CYP3A4TSHRMAPK1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2025-07-10 US disclosed
EP-4534538-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2025-04-09 EP disclosed
EP-4190786-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2025-02-26 EP disclosed
US-12187731-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-01-07 US disclosed
US-20240376124-A1 Macrocyclic Kinase Inhibitors INCYTE CORPORATION 2024-11-14 US disclosed
CN-114072401-B Oxazole compounds as IRAK4 and BTK multi-target inhibitors 南京明德新药研发有限公司 2023-11-21 CN disclosed
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2023-08-31 US disclosed
EP-4190786-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2023-06-07 EP disclosed
CN-113825755-B Imidazopyridines as IRAK4 inhibitors 南京明德新药研发有限公司 2023-04-25 CN disclosed
EP-3808749-B1 PYRAZOLO[1,5-A]PYRIMIDINES USEFUL AS INHIBITORS OF ATR KINASE FOR THE TREATMENT OF CANCER DISEASES VERTEX PHARMA (US) 2023-03-08 EP disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
US-20080176872-A1 Chemical Compounds ASTRAZENECA AB (SE) 2008-07-24 US disclosed
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed
EP-1888584-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
CN-101119988-A Chemical compound ASTRAZENECA AB (SE) 2008-02-06 CN disclosed
EP-1853588-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2007-11-14 EP disclosed
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-11-30 US disclosed
WO-2006122137-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed
WO-2006087530-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2006-08-24 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 (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-20080176872-A1 Chemical Compounds TP53, XPOT, KRAS ALDH1A1 81/4885CYP3A4 68/4885TSHR 4679/4885
US-20060270654-A1 1,6-Dihydro-1,3,5,6-Tetraaza-as-indacene based tricyclic compounds and pharmaceutical compositions comprising same IL1R1, IDO1, TLR1 ALDH1A1 93/4885CYP3A4 265/4885TSHR 1671/4885
US-20250223292-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, CHEK1 ALDH1A1 4170/4885CYP3A4 4712/4885TSHR 2934/4885
US-20230271963-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, MAP3K20, TBK1 ALDH1A1 4127/4885CYP3A4 4682/4885TSHR 2920/4885
US-20240376124-A1 Macrocyclic Kinase Inhibitors JAK2, JAK1, JAK3 ALDH1A1 4603/4885CYP3A4 4299/4885TSHR 1150/4885
US-12187731-B2 Compounds useful as inhibitors of ATR kinase ATR, MAP3K20, CHEK1 ALDH1A1 4170/4885CYP3A4 4712/4885TSHR 2934/4885

“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.