SCHEMBL17080244

SCHEMBL17080244

COS(=O)(=O)Cc1cnc(-c2ccccc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 3/20 0.43
PKM P14618 1/20 0.43
HPGDS O60760 5/20 0.41
KMT2A Q03164 3/20 0.41
CYP11B1 P15538 1/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL260820 0.77 KMT2A (0.61) KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL28137631 0.75 KMT2A (0.59) KMT2AALDH1A1MAPK1
SCHEMBL17086158 0.74 NPC1 (0.44) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL28745297 0.74 S100A9 (0.31) SMN1; SMN2KDM4EALDH1A1
SCHEMBL12474258 0.73 AGXT (0.47) KMT2A
SCHEMBL17080246 0.72 SMN1; SMN2 (0.46) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL22468699 0.71 KDM4E (0.31) KDM4EKMT2AMAPTMEN1
SCHEMBL20364675 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL31328880 0.70 MMP2 (0.39) CYP11B1
SCHEMBL20508396 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-10947224-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2021-03-16 US disclosed
CN-106413402-B Hepatitis b core protein allosteric modulators 美国印第安纳大学研究和技术公司 2020-10-30 CN disclosed
EP-3607950-A2 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research & Technology Corporation (US) 2020-02-12 EP disclosed
EP-3116316-B1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS UNIV INDIANA RES & TECH CORP (US) 2019-07-10 EP disclosed
US-10183936-B2 Hepatitis B core protein allosteric modulators INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2019-01-22 US disclosed
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research and Technology Corporationt (US) 2018-09-27 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 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 (5 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885NPC1 953/4885NFKB1 1667/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885NPC1 953/4885NFKB1 1667/4885
US-20180273521-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885NPC1 953/4885NFKB1 1667/4885
US-10183936-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885NPC1 953/4885NFKB1 1667/4885
US-10947224-B2 Hepatitis B core protein allosteric modulators HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885NPC1 953/4885NFKB1 1667/4885

“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.