SCHEMBL16636931

SCHEMBL16636931

N#CC(=CNc1ccc(-c2ccc(Cl)cc2)c(Cl)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
DHODH Q02127 5/20 0.43
SRD5A2 P31213 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 2/20 0.38
GCG P01275 1/20 0.38
CNR1 P21554 1/20 0.38
MET P08581 2/20 0.37
KDR P35968 2/20 0.37
TP53 P04637 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
SCHEMBL16636930 1.00 ALDH1A1 (0.46) ALDH1A1PKMDHODHSRD5A2KDM4E
SCHEMBL16637116 0.83 DHODH (0.58) ALDH1A1PKMDHODHKDM4EMAPT
SCHEMBL16637119 0.72 DHODH (0.52) DHODHUSP30NPC1CNR1
SCHEMBL16637117 0.72 DHODH (0.52) DHODHUSP30NPC1CNR1
SCHEMBL11101648 0.69 ALDH1A1 (0.68) ALDH1A1PKMDHODHKDM4EMAPT
SCHEMBL11101649 0.69 ALDH1A1 (0.68) ALDH1A1PKMDHODHKDM4EMAPT
SCHEMBL3504350 0.66 ALDH1A1 (0.66) ALDH1A1PKMKDM4EMAPTNPC1
SCHEMBL3504354 0.66 ALDH1A1 (0.66) ALDH1A1PKMKDM4EMAPTNPC1
SCHEMBL17629920 0.65 MAPT (0.48) ALDH1A1PKMDHODHKDM4EMAPT
SCHEMBL23532040 0.65 EGFR (0.71) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-3193851-B1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2020-10-21 EP disclosed
CN-106488910-B Inhibitors of KRAS G12C 亚瑞克西斯制药公司 2020-07-31 CN 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
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-10111874-B2 Combination therapies for treatment of cancer ARAXES PHARMA LLC (US) 2018-10-30 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-3193851-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER Araxes Pharma LLC (US) 2017-07-26 EP disclosed
EP-3055290-A1 INHIBITORS OF KRAS G12C Araxes Pharma LLC (US) 2016-08-17 EP disclosed
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
WO-2016044772-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2016-03-24 WO 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 (12 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 ALDH1A1 4178/4885PKM 3104/4885DHODH 4430/4885
US-10927125-B2 Substituted cinnolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 2326/4885PKM 4249/4885DHODH 4236/4885
US-11878985-B2 Substituted quinazolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885PKM 2869/4885DHODH 4096/4885
US-20200102321-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885PKM 2869/4885DHODH 4096/4885
US-10111874-B2 Combination therapies for treatment of cancer KRAS, TP53, HRAS ALDH1A1 1577/4885PKM 3963/4885DHODH 1308/4885
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4009/4885PKM 2869/4885DHODH 4096/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885PKM 3104/4885DHODH 4430/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS ALDH1A1 3675/4885PKM 3301/4885DHODH 3920/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885PKM 3104/4885DHODH 4430/4885
US-20240043441-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885PKM 3104/4885DHODH 4430/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS ALDH1A1 4178/4885PKM 3104/4885DHODH 4430/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS ALDH1A1 1577/4885PKM 3963/4885DHODH 1308/4885

“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.