SCHEMBL14748615

SCHEMBL14748615

CC(C)c1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.55
NR1H3 Q13133 5/20 0.55
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 2/20 0.53
KDM4E B2RXH2 1/20 0.53
DCUN1D1 Q96GG9 2/20 0.53
ADORA3 P0DMS8 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
HPGDS O60760 1/20 0.46
DGAT1 O75907 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.44
ATAD2 Q6PL18 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL15130506 0.83 DCUN1D1 (0.56) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL15119919 0.81 ALPL (0.56) NR1H2NR1H3MEN1KMT2ACYP1A2
SCHEMBL25957508 0.79 KDM4E (0.61) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL15117057 0.77 DCUN1D1 (0.63) NR1H2NR1H3ALDH1A1CYP1A2DCUN1D1
SCHEMBL8963341 0.74 TSHR (0.49) KMT2AALDH1A1ADORA3LMNAHPGDS
SCHEMBL28694981 0.74 MAPT (0.49) MEN1KMT2AALDH1A1CYP1A2KDM4E
SCHEMBL2629349 0.74 NR1H2 (0.61) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL12862531 0.73 NR1H2 (0.50) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL17336879 0.72 MEN1 (0.53) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL666693 0.71 NR1H2 (1.00) NR1H2NR1H3MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994913-B2 Methods and compositions for detecting and treating drug resistant AKT mutant GENENTECH, INC. (US) 2018-06-12 US disclosed
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH INC (US) 2017-03-09 US disclosed
US-20160153049-A1 METHODS AND COMPOSITIONS FOR DETECTING AND TREATING DRUG RESISTANT AKT MUTANT GENENTECH, INC. (US) 2016-06-02 US disclosed
US-20140031259-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2014-01-30 US disclosed
US-20130059859-A1 PREDICTIVE BIOMARKERS FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2013-03-07 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-20160153049-A1 METHODS AND COMPOSITIONS FOR DETECTING AND TREATING DRUG RESISTANT AKT MUTANT PIK3CA, PIK3C2B, PIK3CG NR1H2 1751/4885NR1H3 1368/4885MEN1 2170/4885
US-20130059859-A1 PREDICTIVE BIOMARKERS FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY PIK3R2, PIK3R1, AKT2 NR1H2 2972/4885NR1H3 2883/4885MEN1 2621/4885
US-20170065588-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS TP53, TSG101, CD44 NR1H2 3527/4885NR1H3 3396/4885MEN1 3434/4885

“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.