SCHEMBL16636625

SCHEMBL16636625

OB(O)c1cc(O)cc2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.59
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
KMT2A Q03164 2/20 0.52
MPI P34949 1/20 0.52
TRPM4 Q8TD43 1/20 0.45
CDC25B P30305 3/20 0.43
CYP1A2 P05177 4/20 0.43
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP2A6 P11509 1/20 0.39
ERN1 O75460 1/20 0.39
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL29892459 1.00 NQO2 (0.59) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL4794960 0.79 TLR8 (0.46) NQO2CYP1A2CYP2C19
SCHEMBL29957465 0.79 TLR8 (0.46) NQO2CYP1A2CYP2C19
SCHEMBL29955210 0.78 CYP1A2 (0.43) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL29952882 0.78 CYP1A2 (0.59) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL17728164 0.78 CYP1A2 (0.43) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL19632965 0.78 CYP1A2 (0.59) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL30640506 0.78 CYP1A2 (0.59) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL31176579 0.78 CYP1A2 (0.43) NQO2ALDH1A1MAPTKDM4EMEN1
SCHEMBL8170588 0.77 ENPP2 (0.46) NQO2ALDH1A1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600717-B2 Tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2026-04-14 US disclosed
WO-2025236100-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2025-11-20 WO disclosed
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORP (US) 2025-06-12 US disclosed
EP-4548918-A2 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS Incyte Corporation (US) 2025-05-07 EP disclosed
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20250034169-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2025-01-30 US disclosed
EP-4305038-B1 KRAS G12D INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2025-01-29 EP disclosed
US-20240409558-A1 IRREVERSIBLE INHIBITORS OF KRAS BIOMEA FUSION, INC. 2024-12-12 US disclosed
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof SHANGHAI ALLIST PHARMACEUTICALS CO., LTD. (CN) 2024-11-07 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-07-13 US disclosed
WO-2017015562-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND THEIR USE AS INHIBITORS OF G12C MUTANT KRAS, HRAS AND/OR NRAS PROTEINS ARAXES PHARMA LLC (US) 2017-01-26 WO disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2017-01-26 US disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 US disclosed
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 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 (10 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-12600717-B2 Tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS NQO2 1045/4885ALDH1A1 2111/4885MAPT 4851/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS NQO2 781/4885ALDH1A1 3870/4885MAPT 229/4885
US-20240409558-A1 IRREVERSIBLE INHIBITORS OF KRAS KRAS, NRAS, TP53 NQO2 234/4885ALDH1A1 3586/4885MAPT 4716/4885
US-20250034169-A1 NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 NQO2 162/4885ALDH1A1 1655/4885MAPT 192/4885
US-20250188073-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS NQO2 481/4885ALDH1A1 2204/4885MAPT 4509/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NQO2 249/4885ALDH1A1 4009/4885MAPT 761/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS NQO2 1318/4885ALDH1A1 4178/4885MAPT 279/4885
US-20240368192-A1 Nitrogen-Containing Heterocyclic Compound, and Preparation Method Therefor, Intermediate Thereof, and Application Thereof KRAS, NRAS, HRAS NQO2 1169/4885ALDH1A1 2187/4885MAPT 4830/4885
US-20170022184-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 147/4885ALDH1A1 2059/4885MAPT 4598/4885
US-20170197945-A1 2-SUBSTITUTED QUINAZOLINE COMPOUNDS COMPRISING A SUBSTITUTED HETEROCYCLIC GROUP AND METHODS OF USE THEREOF KRAS, NRAS, HRAS NQO2 138/4885ALDH1A1 3333/4885MAPT 4467/4885

“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.