SCHEMBL951022

SCHEMBL951022

Nc1c(I)cc(Cl)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.55
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
MCL1 Q07820 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
SCHEMBL28704965 0.85 CYP3A4 (0.65) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1632314 0.84 CYP3A4 (0.41) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL8820419 0.79 CYP3A4 (0.59) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL954276 0.79 KDM4E (0.44) CYP3A4ALDH1A1HSD17B10HPGDCA1
3,5-Dichloroanthranilic Acid SCHEMBL951092 0.79 AKR1C4 (0.61) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5886297 0.79 CYP3A4 (0.70) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
3,5-Dichloroanthranilic Acid SCHEMBL29557172 0.79 AKR1C4 (0.61) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL1059617 0.78 ABL1 (0.51) ALDH1A1HSD17B10HPGDKDM4EMAPT
SCHEMBL12534116 0.78 SCN10A (0.40) CYP3A4ALDH1A1TP53HPGDKDM4E
3,5-Dichloroanthranilic Acid SCHEMBL11626235 0.78 AKR1C4 (0.59) CYP3A4AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
EP-2855459-B1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-04-29 EP disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-16 US disclosed
WO-2009044018-A2 DERIVATIVES OF 1-OXO-1,2-DIHYDROISOQUINOLINE-5-CARBOXAMIDES AND OF 4-OXO-3,4-DIHYDROQUINAZOLINE-8-CARBOXAMIDES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
CN-101287721-A Hydrazide compound and pesticidal use of the same SUMITOMO CHEMICAL CO (JP) 2008-10-15 CN disclosed
EP-1937664-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
WO-2007043677-A9 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL CO (JP) 2007-06-07 WO disclosed
WO-2007043677-A1 HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-19 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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR CYP3A4 291/4885AKR1C4 645/4885AKR1C3 449/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC CYP3A4 60/4885AKR1C4 2760/4885AKR1C3 2936/4885
US-20090181956-A1 Hydrazide Compound and Pesticidal Use of the Same ACHE, DDT, CAT CYP3A4 328/4885AKR1C4 1576/4885AKR1C3 2377/4885

“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.