SCHEMBL21164669

SCHEMBL21164669

CC(C)C(=O)/C(C#N)=C/c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
MAPT P10636 6/20 0.46
NPC1 O15118 4/20 0.46
KDM4E B2RXH2 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
STAT3 P40763 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 2/20 0.41
USP9X Q93008 2/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 2/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
UCHL1 P09936 1/20 0.38
USP5 P45974 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
SCHEMBL16646924 0.83 RAB9A (0.54) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL24091682 0.82 STAT3 (0.56) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL10906195 0.81 RAB9A (0.55) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL17030776 0.81 KMT2A (0.54) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL21891546 0.81 RAB9A (0.51) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL18164148 0.80 RAB9A (0.54) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL25670655 0.80 MCL1 (0.58) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL23952404 0.79 L3MBTL1 (0.52) RAB9AMAPTNPC1KDM4EL3MBTL1
SCHEMBL1316162 0.78 STAT3 (0.73) RAB9AMAPTNPC1KDM4ESTAT3
SCHEMBL1316160 0.78 STAT3 (0.73) RAB9AMAPTNPC1KDM4ESTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
EP-4269405-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR Shanghai Kechow Pharma, Inc. (CN) 2023-11-01 EP disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
US-20230212183-A9 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-07-06 US disclosed
WO-2022135470-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 2022-06-30 WO disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed
US-20210188869-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2021-06-24 US disclosed
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer ARAXES PHARMA LLC (US) 2020-08-11 US disclosed
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-10351550-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-07-16 US 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 (8 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 RAB9A 33/4885MAPT 279/4885NPC1 3306/4885
US-10736897-B2 Compounds and methods of use thereof for treatment of cancer KRAS, NRAS, HRAS RAB9A 35/4885MAPT 4420/4885NPC1 2386/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS RAB9A 1212/4885MAPT 2968/4885NPC1 2050/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS RAB9A 57/4885MAPT 559/4885NPC1 3789/4885
US-20230212183-A9 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS RAB9A 33/4885MAPT 279/4885NPC1 3306/4885
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS RAB9A 84/4885MAPT 4341/4885NPC1 4255/4885
US-10351550-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS RAB9A 19/4885MAPT 4598/4885NPC1 2276/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS RAB9A 77/4885MAPT 4242/4885NPC1 4160/4885

“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.