SCHEMBL17030833

SCHEMBL17030833

COC(=O)[C@H]1CCCN(c2ncnc3cc(Cl)c(-c4ccc(Cl)cc4)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
KCNH2 Q12809 1/20 0.50
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DYRK1A Q13627 2/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL20340556 0.89 DYRK1A (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL17030832 0.89 DYRK1A (0.56) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL19296783 0.88 MAPT (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL17030831 0.88 PRKDC (0.57) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL31065680 0.86 PRKDC (0.53) PIK3CDPIK3CAPIK3CBPIK3CGKCNH2
SCHEMBL16647209 0.83 PDE10A (0.50) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL17030834 0.82 POLB (0.48) PIK3CAKDM4ENPC1CYP1A2CYP3A4
SCHEMBL20340570 0.80 POLB (0.46) TP53CYP1A2DYRK1AMAPTATR
SCHEMBL31065672 0.80 PDE3A (0.61) MAPK1PDGFRBPDE10APDE3A
SCHEMBL19296803 0.79 POLB (0.46) TP53CYP1A2DYRK1ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2016-06-16 US disclosed
US-20150239900-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2015-08-27 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 (3 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PIK3CD 1167/4885PIK3CA 183/4885PIK3CB 740/4885
US-20150239900-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS PIK3CD 1693/4885PIK3CA 255/4885PIK3CB 1156/4885
US-20160166571-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS PIK3CD 485/4885PIK3CA 33/4885PIK3CB 317/4885

“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.