SCHEMBL406316

SCHEMBL406316

Cc1cc(N)c(C#N)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD44 P16070 1/20 0.58
CYP3A4 P08684 3/20 0.39
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
AR P10275 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
KHK P50053 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
USP2 O75604 1/20 0.32
SLC22A12 Q96S37 2/20 0.32
PGK1 P00558 1/20 0.32

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
SCHEMBL404910 0.92 CD44 (0.58) CD44CYP3A4POLBKMT2AALDH1A1
SCHEMBL8777742 0.83 CD44 (0.46) CD44CYP3A4ALDH1A1TSHRMAPK1
SCHEMBL5287616 0.82 TSHR (0.48) CD44CYP3A4KMT2AALDH1A1TSHR
SCHEMBL404475 0.82 GAA (0.46) CD44CYP3A4KMT2AALDH1A1TSHR
SCHEMBL19931598 0.80 CD44 (0.41) CD44CYP3A4POLBKMT2AALDH1A1
SCHEMBL28408336 0.80 TRPV4 (0.43) CD44POLBKMT2AALDH1A1TSHR
SCHEMBL13868310 0.76 CD44 (0.41) CD44CYP3A4POLBKMT2AALDH1A1
SCHEMBL20045543 0.75 GAA (0.44) CD44CYP3A4KMT2AALDH1A1TSHR
SCHEMBL12414780 0.75 TSHR (0.41) CD44CYP3A4KMT2AALDH1A1TSHR
SCHEMBL405495 0.75 KHK (0.47) ALDH1A1MAPK1TRPV4KHKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3401314-B1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-11-08 EP disclosed
US-10919850-B2 Covalent inhibitors of KRas G12C ARAXES PHARMA LLC (US) 2021-02-16 US disclosed
US-10273207-B2 Covalent inhibitors of kras G12C ARAXES PHARMA LLC (US) 2019-04-30 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-06-14 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-9926267-B2 Covalent inhibitors of K-Ras G12C ARAXES PHARMA LLC (US) 2018-03-27 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2016-06-09 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
US-9227978-B2 Covalent inhibitors of Kras G12C ARAXES PHARMA LLC (US) 2016-01-05 US disclosed
WO-2014152588-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2014-09-25 WO disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2014-09-25 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (7 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-20140288045-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885POLB 2054/4885
US-20160159738-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885POLB 2054/4885
US-20180162812-A1 COVALENT INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885POLB 2054/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885POLB 4705/4885
US-10919850-B2 Covalent inhibitors of KRas G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885POLB 2054/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CD44 825/4885CYP3A4 2376/4885POLB 4705/4885
US-10273207-B2 Covalent inhibitors of kras G12C KRAS, NRAS, HRAS CD44 3043/4885CYP3A4 4548/4885POLB 2054/4885

“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.