Sugi Predict

Sugi Predict / Compounds / SCHEMBL4086263

SCHEMBL4086263

SCHEMBL4086263

O=C(On1ccc2c(-n3cc(-c4cccc([N+](=O)[O-])c4)cn3)ccnc21)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.34
▸ KEAP1 Q14145 4/20 0.34
▸ NFE2L2 Q16236 4/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ IDO1 P14902 1/20 0.32

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
SCHEMBL4087925 0.89 PDE3B (0.33) PDE3BPDE3ARAB9AMAPTKDM4E
SCHEMBL4082073 0.85 GRM4 (0.34) RAB9AMEN1KMT2ANPC1
SCHEMBL4086540 0.85 KEAP1 (0.36) KEAP1NFE2L2RAB9AMAPTMEN1
SCHEMBL4095838 0.83 ABL1 (0.42) L3MBTL1HSP90AA1
SCHEMBL4092507 0.81 CRHR1 (0.34) ALDH1A1
SCHEMBL4087912 0.81 MAPK1 (0.35) MEN1KMT2ANPC1ALDH1A1
SCHEMBL4092534 0.78 PDE10A (0.33) —
SCHEMBL4099618 0.78 MAPKAPK2 (0.43) MAPTKDM4EALDH1A1
SCHEMBL4088061 0.78 ALK (0.46) MAPTKMT2ANPSR1ALDH1A1
Trifluoroacetic Acid SCHEMBL4086259 0.77 PRKCI (0.44) PDE3BPDE3ATDP1KEAP1NFE2L2

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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 — — US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 — — US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 — — 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 (2 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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE3B 2476/4885PDE3A 3311/4885TDP1 1172/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PDE3B 2476/4885PDE3A 3311/4885TDP1 1172/4885

“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.