SCHEMBL16637468

SCHEMBL16637468

CCC(=O)c1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL2079317 0.87 ALDH1A1 (0.54) HPGDCYP2C19CYP1A2CYP3A4SMN1; SMN2
SCHEMBL8489227 0.84 HPGD (0.57) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL8137810 0.84 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL27858772 0.82 HSP90AB1 (0.59) CYP3A4POLBMAPK1HTTALDH1A1
SCHEMBL29084331 0.82 CES2 (0.55) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL31245529 0.82 HPGD (0.53) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL848335 0.81 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL29758067 0.81 HPGD (0.56) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL27335194 0.81 HPGD (0.53) HPGDCYP2C19CYP1A2CYP3A4FLT1
SCHEMBL11301098 0.81 HPGD (0.59) HPGDCYP2C19CYP1A2CYP3A4FLT1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2025-02-25 US disclosed
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-10-24 US disclosed
US-20240043441-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2024-02-08 US disclosed
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2024-01-23 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
US-20220242875-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2022-08-04 US disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2021-02-23 US disclosed
EP-3636639-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2020-04-15 EP disclosed
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2020-04-02 US disclosed
EP-3055290-B1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2019-10-02 EP disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 US disclosed
US-9840516-B2 Substituted quinazolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2017-12-12 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
WO-2015054572-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2015-04-16 WO disclosed
CN-101031564-A Piperazine derivatives for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2007-09-05 CN 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 (13 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-20210188869-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HPGD 3796/4885CYP2C19 2635/4885CYP1A2 1836/4885
US-12234244-B2 Substituted piperazines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HPGD 4385/4885CYP2C19 4218/4885CYP1A2 4341/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HPGD 3845/4885CYP2C19 2389/4885CYP1A2 1845/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 3845/4885CYP2C19 2389/4885CYP1A2 1845/4885
US-20240352028-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 3845/4885CYP2C19 2389/4885CYP1A2 1845/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 3845/4885CYP2C19 2389/4885CYP1A2 1845/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS HPGD 3945/4885CYP2C19 3248/4885CYP1A2 1511/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885
US-20220242875-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS HPGD 4095/4885CYP2C19 3772/4885CYP1A2 3408/4885

“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.