SCHEMBL4087912

SCHEMBL4087912

Cc1cc([N+](=O)[O-])ccc1-n1cc(-c2ccnc3c2ccn3OC(=O)C(F)(F)F)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FLT3 P36888 1/20 0.34
PIK3CA P42336 1/20 0.34
CDK7 P50613 1/20 0.34
GRM4 Q14833 6/20 0.32
ALDH1A1 P00352 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
TLR2 O60603 1/20 0.31
TLR1 Q15399 1/20 0.31
MEN1 O00255 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
NOS1 P29475 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
SCHEMBL4092507 0.90 CRHR1 (0.34) MAPK1GRM4ALDH1A1TLR2TLR1
SCHEMBL4098786 0.84 GRM4 (0.42) GRM4KCNH2
SCHEMBL4082428 0.83 ABL1 (0.37) GRM4KCNH2
SCHEMBL4087925 0.82 PDE3B (0.33) ALDH1A1NOS1
SCHEMBL4088815 0.80 GRM4 (0.40) GRM4KCNH2
SCHEMBL4088061 0.79 ALK (0.46) ALDH1A1KMT2A
SCHEMBL4092731 0.78 GRM4 (0.43) GRM4MEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4087906 0.78 GRM4 (0.48) GRM4
SCHEMBL4088864 0.77 GRM4 (0.42) GRM4KCNH2
SCHEMBL4093221 0.77 GRM4 (0.35) SMN1; SMN2GRM4ALDH1A1GABRA1GABRG2

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 MAPK1 285/4885SMN1; SMN2 3741/4885FLT3 15/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPK1 285/4885SMN1; SMN2 3741/4885FLT3 15/4885

“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.