SCHEMBL4086540

SCHEMBL4086540

O=C(On1ccc2c(-n3ccc(-c4cccc([N+](=O)[O-])c4)n3)ccnc21)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.36
NFE2L2 Q16236 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
MAPT P10636 3/20 0.35
CRHR1 P34998 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLK1 P53350 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
PIM1 P11309 1/20 0.34
CDK4 P11802 1/20 0.34
CCND3 P30281 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL4092160 0.85 KMO (0.41) KMT2AALDH1A1KDM4E
SCHEMBL4086263 0.85 PDE3B (0.36) KEAP1NFE2L2MEN1KMT2AMAPT
SCHEMBL4087914 0.84 MAPT (0.39) MAPTALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL4092185 0.80 SCN4A (0.36) KDM4EKCNQ3KCNQ2
SCHEMBL4093211 0.80 MAPT (0.35) KMT2AMAPTPIM1RAB9ANPC1
SCHEMBL4092622 0.78 ALDH1A1 (0.40) MEN1KMT2AMAPTCRHR1ALDH1A1
Trifluoroacetic Acid SCHEMBL4086536 0.78 SMN1; SMN2 (0.39) KEAP1NFE2L2MEN1KMT2AGABRA1
SCHEMBL4087925 0.76 PDE3B (0.33) MAPTALDH1A1KDM4ERAB9A
SCHEMBL29540734 0.73 PLK1 (0.45) KEAP1NFE2L2MEN1KMT2AMAPT
SCHEMBL98795 0.73 PLK1 (0.45) KEAP1NFE2L2MEN1KMT2AMAPT

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 KEAP1 2090/4885NFE2L2 2032/4885MEN1 3406/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KEAP1 2090/4885NFE2L2 2032/4885MEN1 3406/4885

“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.