SCHEMBL19735097

SCHEMBL19735097

CNC(=O)N1CC(C(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
TACR1 P25103 1/20 0.32
HCRTR2 O43614 1/20 0.32
HDAC2 Q92769 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
LCK P06239 1/20 0.31
OPRL1 P41146 1/20 0.30

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
SCHEMBL13411430 0.84 POLB (0.48) POLBHCRTR2LCKOPRL1
SCHEMBL13411427 0.81 POLB (0.45) POLBHCRTR2LCK
SCHEMBL20053259 0.81 SMN1; SMN2 (0.48) TACR1HCRTR2
SCHEMBL2603260 0.79 POLB (0.58) POLBHCRTR2OPRL1
SCHEMBL21024933 0.77 POLB (0.41) POLB
SCHEMBL17816029 0.75
SCHEMBL7906643 0.75 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12521943 0.75
SCHEMBL21025382 0.74 CHRNB2 (0.52) HCRTR2HDAC2CHRNB2CHRNA3CHRNA4
SCHEMBL24449814 0.74 POLB (0.45) POLBTACR1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2021-10-28 US disclosed
EP-3227297-B1 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2021-01-20 EP disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed
US-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-08-04 US disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-29 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US disclosed
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2017-12-21 US 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-10730880-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors JAK1, JAK3, JAK2 POLB 3757/4885TACR1 3064/4885HCRTR2 4406/4885
US-20170362240-A1 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 POLB 3757/4885TACR1 3064/4885HCRTR2 4406/4885
US-10189845-B2 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors JAK1, JAK3, JAK2 POLB 3757/4885TACR1 3064/4885HCRTR2 4406/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 POLB 2659/4885TACR1 4862/4885HCRTR2 3951/4885
US-20210332064-A1 ISOQUINOLINE COMPOUNDS FOR THE TREATMENT OF CANCER PGK1, PHKG1, NEK1 POLB 1528/4885TACR1 4855/4885HCRTR2 3875/4885

“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.