SCHEMBL29425136

SCHEMBL29425136

O=C(O)c1cc2c(Cl)c(F)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.58
GRIN1 Q05586 3/20 0.54
F7 P08709 1/20 0.54
F3 P13726 1/20 0.54
RHEB Q15382 5/20 0.53
KDM4E B2RXH2 4/20 0.51
LMNA P02545 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 3/20 0.50
MEN1 O00255 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
BLM P54132 1/20 0.50
PDPK1 O15530 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
APEX1 P27695 1/20 0.50

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
SCHEMBL6161388 1.00 DAO (0.58) DAOGRIN1F7F3RHEB
SCHEMBL30310623 0.85 DAO (0.56) DAOGRIN1F7F3RHEB
SCHEMBL13593176 0.84 DAO (0.55) DAOGRIN1F7F3RHEB
SCHEMBL708527 0.83 GRIN1 (0.57) GRIN1F7F3RHEBKDM4E
SCHEMBL10085352 0.83 KDM4E (0.54) DAOGRIN1F7F3RHEB
SCHEMBL29974441 0.83 KDM4E (0.54) DAOGRIN1F7F3RHEB
SCHEMBL19332317 0.81 DAO (0.52) DAOKDM4EALDH1A1HPGDCYP1A2
SCHEMBL30310454 0.81 DAO (0.52) DAOKDM4EALDH1A1HPGDCYP1A2
SCHEMBL31416338 0.81 EIF4A3 (0.58) GRIN1F7F3RHEBKDM4E
SCHEMBL1504212 0.80 HRH4 (0.59) GRIN1F7F3RHEBKDM4E

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-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-11-17 US disclosed
EP-3962914-A1 NOVEL INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2022-03-09 EP 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 (1 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-20220363686-A1 NOVEL 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 DAO 688/4885GRIN1 4066/4885F7 3482/4885

“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.