SCHEMBL19030768

SCHEMBL19030768

COC(=O)c1cnn2cccnc12

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.72
STING1 Q86WV6 2/20 0.67
IRAK4 Q9NWZ3 12/20 0.61
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
HTT P42858 1/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD11B1 P28845 1/20 0.53
PDE2A O00408 1/20 0.53

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
SCHEMBL31218890 0.84 LMNA (0.54) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL31294182 0.84 IRAK4 (0.64) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL16718858 0.84 HSD17B10 (0.67) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL29749543 0.84 LMNA (0.54) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL10042194 0.82 HTT (0.58) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL309036 0.82 IRAK4 (0.58) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL19432380 0.81 HTT (0.61) LMNASTING1IRAK4ALDH1A1HPGD
SCHEMBL18717545 0.81 PDE2A (0.61) LMNASTING1IRAK4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL31474423 0.80 IRAK4 (0.57) LMNASTING1IRAK4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL30152392 0.80 IRAK4 (0.57) LMNASTING1IRAK4ALDH1A1HPGD

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
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
WO-2023078267-A1 AMINO-CONTAINING MACROCYCLIC COMPOUND AS PROTEIN KINASE MODULATOR 赛诺哈勃药业(成都)有限公司 2023-05-11 WO disclosed
CN-116063326-A Amino-containing macrocyclic compounds as protein kinase modulators 赛诺哈勃药业(成都)有限公司 2023-05-05 CN disclosed
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2022-10-20 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators GENENTECH, INC. (US) 2021-04-27 US disclosed
EP-3394066-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS H. Hoffnabb-La Roche Ag (CH) 2018-10-31 EP disclosed
US-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS GENENTECH, INC. (US) 2018-10-18 US disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 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-20180298015-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 LMNA 3215/4885STING1 48/4885IRAK4 2/4885
US-20220332718-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK1, IRAK4, IRAK2 LMNA 3773/4885STING1 56/4885IRAK4 2/4885
US-10988478-B1 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK1, IRAK4, IRAK2 LMNA 3215/4885STING1 48/4885IRAK4 2/4885

“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.