SCHEMBL17422016

SCHEMBL17422016

N#CSc1cncc(SC#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
USP8 P40818 1/20 0.38
USP5 P45974 1/20 0.38
USP4 Q13107 1/20 0.38
USP7 Q93009 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MAPT P10636 4/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA2 P47869 1/20 0.36
MYC P01106 1/20 0.34
WDR5 P61964 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL22101374 0.80 CYP11B1 (0.42) ALDH1A1MYCWDR5CYP11B1CYP11B2
SCHEMBL8181288 0.79
SCHEMBL10216075 0.72
SCHEMBL28183847 0.70 ALDH1A1 (0.44) USP2USP8USP5USP4USP7
SCHEMBL18474339 0.68
SCHEMBL4408306 0.67 ALDH1A1 (0.64) USP2USP8USP5USP4USP7
SCHEMBL9620162 0.66 CYP1A2 (0.48) ALDH1A1MAPTCYP11B1CYP11B2HPGD
SCHEMBL6495730 0.64
SCHEMBL16707560 0.63 ALDH1A1 (0.55) USP2USP8USP5USP4USP7
SCHEMBL16707585 0.63 ALDH1A1 (0.46) USP2USP8USP5USP4USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10588896-B2 Agents for the treatment of retroviral infectious diseases IMMUNOLOGIK GMBH (DE) 2020-03-17 US disclosed
US-10588896-B2 Agents for the treatment of retroviral infectious diseases IMMUNOLOGIK GMBH (DE) 2020-03-17 US disclosed
US-20170202814-A1 AGENTS FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES IMMUNOLOGIK GMBH (DE) 2017-07-20 US disclosed
US-20170202814-A1 AGENTS FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES IMMUNOLOGIK GMBH (DE) 2017-07-20 US disclosed
EP-3166604-A1 SUBSTANCES FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES Immunologik GmbH (DE) 2017-05-17 EP disclosed
WO-2016004917-A1 SUBSTANCES FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES IMMUNOLOGIK GMBH (DE) 2016-01-14 WO 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-20170202814-A1 AGENTS FOR THE TREATMENT OF RETROVIRAL INFECTIOUS DISEASES USP3, USP28, USP5 USP2 10/4885USP8 15/4885USP5 3/4885
US-10588896-B2 Agents for the treatment of retroviral infectious diseases USP3, USP28, USP5 USP2 10/4885USP8 15/4885USP5 3/4885

“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.