SCHEMBL10195758

SCHEMBL10195758

CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 11/20 1.00
KDM4E B2RXH2 2/20 1.00
MEN1 O00255 2/20 1.00
ALDH1A1 P00352 2/20 1.00
RAF1 P04049 2/20 1.00
TP53 P04637 2/20 1.00
HSP90AA1 P07900 2/20 1.00
HSP90AB1 P08238 2/20 1.00
MAPT P10636 2/20 1.00
THRB P10828 2/20 1.00
CASP1 P29466 2/20 1.00
HTT P42858 2/20 1.00
RAB9A P51151 2/20 1.00
GALK1 P51570 2/20 1.00
BLM P54132 2/20 1.00
CASP7 P55210 2/20 1.00
MAP2K1 Q02750 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00

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
SCHEMBL3472208 0.85 RAF1 (0.74) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL3293964 0.80 RAF1 (1.00) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL20442137 0.80 TDP2 (0.74) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032582 0.78 RAF1 (0.73) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL15034885 0.78 TDP2 (0.81) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032584 0.76 KDM4E (0.70) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL20442145 0.76 TDP2 (0.74) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL14019967 0.76 TDP2 (1.00) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL20442139 0.75 TDP2 (0.74) HSF1KDM4EMEN1ALDH1A1RAF1
SCHEMBL15032577 0.75 RAF1 (0.76) HSF1KDM4EMEN1ALDH1A1RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210113570-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2021-04-22 US disclosed
US-10888564-B2 Inhibitors of HIV-1 integrase multimerization INSTITUTE FOR CANCER RESEARCH (US) 2021-01-12 US disclosed
WO-2018140762-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION INSTITUTE FOR CANCER RESEARCH d.b.a THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER (US) 2018-08-02 WO disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-9073941-B2 Compounds and methods for treating tuberculosis infection ACADEMIA SINICA (TW) 2015-07-07 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION ACADEMIA SINICA (TW) 2013-06-20 US disclosed
WO-2012006104-A2 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION Academia Sinica, Taiwan (TW) 2012-01-12 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 (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-20210113570-A1 INHIBITORS OF HIV-1 INTEGRASE MULTIMERIZATION PIK3CA, PIK3CB, SAMHD1 HSF1 3737/4885KDM4E 1235/4885MEN1 4445/4885
US-20130158037-A1 COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION TALDO1, PGD, DLD HSF1 3254/4885KDM4E 903/4885MEN1 3731/4885
US-10888564-B2 Inhibitors of HIV-1 integrase multimerization CDK7, TYMP, CDC7 HSF1 3876/4885KDM4E 1705/4885MEN1 4371/4885

“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.