SCHEMBL23779050

SCHEMBL23779050

CCc1cc(F)cc2[nH]c(C(=O)N3CCn4nc(NCC5CCOC5)cc4C3)cc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ NAMPT P43490 3/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ GRM5 P41594 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ C5AR1 P21730 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL23779073 0.92 MMP9 (0.34) MAPK1RAF1BRAFNAMPTGRM5
SCHEMBL23779111 0.90 MAPK1 (0.33) MAPK1RAF1BRAFNAMPTMEN1
SCHEMBL24321138 0.87 MAPK10 (0.37) NAMPTFPR2KMT2APOLB
SCHEMBL23779059 0.81 HRH4 (0.46) NAMPTGRM5LRRK2SYK
SCHEMBL23779140 0.81 GRM5 (0.33) FPR2MEN1KMT2AGRM5POLB
SCHEMBL23779053 0.81 POLB (0.47) NAMPTPOLB
SCHEMBL22395857 0.79 NPY5R (0.39) GRM5
SCHEMBL22396192 0.79 NPY5R (0.39) GRM5
SCHEMBL22396321 0.79 NPY5R (0.39) GRM5
SCHEMBL23779084 0.77 MAPK10 (0.39) NAMPTKMT2APARP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 — — US disclosed
US-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AICURIS GMBH & CO. KG (DE) 2022-03-17 — — US disclosed
EP-3873910-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) AiCuris GmbH & Co. KG (DE) 2021-09-08 — — 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-20220081444-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE INDOLE-2-CARBOXAMIDES ACTIVE AGAINST THE HEPATITIS B VIRUS (HBV) HCCS, CDK2, BRD4 MAPK1 2605/4885RAF1 2415/4885BRAF 2338/4885

“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.

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