SCHEMBL4087925

SCHEMBL4087925

O=C(On1ccc2c(-n3cc(-c4ccc([N+](=O)[O-])cc4)cn3)ccnc21)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PTPN11 Q06124 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2C19 P33261 1/20 0.30
NOS1 P29475 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
HSP90AA1 P07900 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
SCHEMBL4082073 0.86 GRM4 (0.34) RAB9A
SCHEMBL4099618 0.85 MAPKAPK2 (0.43) MAPTALDH1A1KDM4EPTPN11
SCHEMBL4092507 0.82 CRHR1 (0.34) ALDH1A1
SCHEMBL4087912 0.82 MAPK1 (0.35) ALDH1A1NOS1
SCHEMBL4092534 0.81 PDE10A (0.33)
SCHEMBL4096044 0.77 KIT (0.32)
SCHEMBL4097308 0.76 ALKBH2 (0.34)
Trifluoroacetic Acid SCHEMBL4087921 0.75 PRKCI (0.47) LMNAMAPTALDH1A1KDM4EGAA
SCHEMBL4088864 0.73 GRM4 (0.42)
SCHEMBL4088061 0.72 ALK (0.46) LMNAMAPTALDH1A1

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 3311/4885LMNA 4785/4885
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 3311/4885LMNA 4785/4885

“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.