SCHEMBL17035191

SCHEMBL17035191

CC(C)Cc1cnc2nc(N)[nH]c(=O)c2n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 12/20 0.67
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
AKR1B1 P15121 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
SCHEMBL12948270 0.84 NOS1 (0.72) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL10850064 0.83 NOS1 (0.64) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL24836042 0.82 NOS1 (0.62) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL14791099 0.82 NOS1 (0.69) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL1520944 0.81 NOS1 (0.57) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL1520051 0.81 NOS1 (0.68) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL10618579 0.81 NOS1 (0.68) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL1981720 0.81 NOS1 (0.68) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL6444228 0.81 NOS1 (0.68) NOS1HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL21204949 0.81 NOS1 (0.68) NOS1HSD17B10KDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2018-04-19 US disclosed
US-20150238631-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 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 (2 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-20180104354-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 NOS1 4356/4885HSD17B10 3535/4885KDM4E 2181/4885
US-20150238631-A1 CHIMERIC ANTIGEN RECEPTOR T CELL SWITCHES AND USES THEREOF ICOS, HAVCR2, CD2 NOS1 4356/4885HSD17B10 3535/4885KDM4E 2181/4885

“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.