SCHEMBL710355

SCHEMBL710355

CC1(C)OB(c2cccc(N)n2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 10/20 0.42
LIPG Q9Y5X9 10/20 0.42
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
ASIC3 Q9UHC3 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
F11 P03951 1/20 0.32
ANPEP P15144 1/20 0.31
LAP3 P28838 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
SCHEMBL4211647 0.81 LPL (0.40) LPLLIPGIRAK4CA1CA2
SCHEMBL17268323 0.79 CCR1 (0.45) LPLLIPGNOS3NOS2IRAK4
SCHEMBL30286474 0.78 LPL (0.41) LPLLIPGIRAK4P2RX7
SCHEMBL18342256 0.78 LPL (0.39) LPLLIPGIRAK4P2RX7
SCHEMBL30086173 0.78 CYP3A4 (0.38) LPLLIPGIRAK4P2RX7
SCHEMBL29562655 0.78 LIPG (0.38) LPLLIPGIRAK4F11P2RX7
SCHEMBL201979 0.78 CYP3A4 (0.38) LPLLIPGIRAK4P2RX7
SCHEMBL31631018 0.78 LPL (0.39) LPLLIPGIRAK4P2RX7
SCHEMBL13576201 0.78 LIPG (0.38) LPLLIPGIRAK4F11P2RX7
SCHEMBL1192256 0.78 LPL (0.41) LPLLIPGIRAK4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815227-B2 Processes for the preparation of filgotinib CADILA HEALTHCARE LIMITED (IN) 2020-10-27 US disclosed
US-10815227-B2 Processes for the preparation of filgotinib CADILA HEALTHCARE LIMITED (IN) 2020-10-27 US disclosed
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB CADILA HEALTHCARE LIMITED (IN) 2020-02-27 US disclosed
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB CADILA HEALTHCARE LIMITED (IN) 2020-02-27 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-10-17 US disclosed
US-8450323-B2 Substituted derivatives of pyrido[3,2-e][1,4]thiazino[4,3-a]pyrazine and pyrido[3,2-e][1,4]oxazino[4,3-a]pyrazine TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-28 US disclosed
WO-2012122340-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-13 WO disclosed
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-05-17 US disclosed
US-8124606-B2 Substituted 7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3′,2′-e]pyrazin-6(6aH)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-28 US disclosed
EP-2389379-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-11-30 EP disclosed
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
CN-101687850-A Substituted pyrimidines as adenosine receptor antagonists ALMIRALL SA 2010-03-31 CN 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 (7 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 LPL 2097/4885LIPG 2029/4885NOS3 2420/4885
US-10815227-B2 Processes for the preparation of filgotinib ABL1, FER, FLNA LPL 2391/4885LIPG 338/4885NOS3 1982/4885
US-20120122835-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 LPL 2097/4885LIPG 2029/4885NOS3 2420/4885
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB ABL1, FER, FLNA LPL 2391/4885LIPG 338/4885NOS3 1982/4885
US-20110158989-A1 Poly (ADP-Ribose) Polymerase (PARP) INHIBITORS PARP1, PARP3, PARP2 LPL 2097/4885LIPG 2029/4885NOS3 2420/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 LPL 2097/4885LIPG 2029/4885NOS3 2420/4885
US-20130274239-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 LPL 2097/4885LIPG 2029/4885NOS3 2420/4885

“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.