SCHEMBL3085448

SCHEMBL3085448

O=C(O)NCC1COCCN1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.42
ARG1 P05089 2/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IL1B P01584 2/20 0.32
P2RX7 Q99572 2/20 0.32
CYP2D6 P10635 1/20 0.32
ADRB1 P08588 1/20 0.31
PFKFB3 Q16875 1/20 0.30
MAP4K1 Q92918 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
SCHEMBL21681172 1.00 MALT1 (0.42) MALT1ARG1MKNK2IL1BP2RX7
Hydrochloric Acid SCHEMBL19056470 0.98 MALT1 (0.41) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL35211069 0.84 FUCA1 (0.42) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL27410738 0.84 FUCA1 (0.42) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL12506986 0.84 FUCA1 (0.42) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL22409372 0.83 ARG1 (0.36) MALT1ARG1IL1BP2RX7
SCHEMBL21661031 0.81 MALT1 (0.40) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL21661025 0.81 MALT1 (0.40) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL23866584 0.80 MALT1 (0.39) MALT1ARG1MKNK2IL1BP2RX7
SCHEMBL23866590 0.80 MALT1 (0.39) MALT1ARG1MKNK2IL1BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11866426-B2 Benzothiazole compounds and uses thereof INCYTE CORPORATION (US) 2024-01-09 US disclosed
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 EP disclosed
US-20210171518-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2021-06-10 US disclosed
US-10898504-B2 Substituted nucleoside analogues for use as PRMT5 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-01-26 US disclosed
US-10899755-B2 Benzothiazole compounds and uses thereof INCYTE CORPORATION (US) 2021-01-26 US disclosed
US-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-17 US disclosed
US-20200048241-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF INCYTE CORPORATION 2020-02-13 US disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
US-8268827-B2 Pyridazinone derivatives as PARP inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA. (IT) 2012-09-18 US disclosed
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA S.R.L. (IT) 2010-10-14 US disclosed
EP-2220073-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2010-08-25 EP disclosed
WO-2009063244-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-05-22 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 (8 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-10899755-B2 Benzothiazole compounds and uses thereof PDXK, PCK1, HIPK1 MALT1 3283/4885ARG1 4777/4885MKNK2 124/4885
US-20210171518-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF PDXK, PCK1, HIPK1 MALT1 3283/4885ARG1 4777/4885MKNK2 124/4885
US-20200289539-A1 NOVEL SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS PRMT5, PRMT1, PRMT3 MALT1 4299/4885ARG1 65/4885MKNK2 891/4885
US-20100261709-A1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS PARP1, PARP2, PARP3 MALT1 3473/4885ARG1 2965/4885MKNK2 626/4885
US-20200048241-A1 BENZOTHIAZOLE COMPOUNDS AND USES THEREOF PDXK, PCK1, HIPK1 MALT1 3283/4885ARG1 4777/4885MKNK2 124/4885
US-11866426-B2 Benzothiazole compounds and uses thereof PDXK, PCK1, HIPK1 MALT1 3283/4885ARG1 4777/4885MKNK2 124/4885
US-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 MALT1 2694/4885ARG1 1031/4885MKNK2 3148/4885
US-10898504-B2 Substituted nucleoside analogues for use as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 MALT1 4277/4885ARG1 105/4885MKNK2 960/4885

“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.