Sugi Predict

Sugi Predict / Compounds / SCHEMBL4093221

SCHEMBL4093221

SCHEMBL4093221

O=C(On1ccc2c(-c3cnn(-c4c(Cl)cc(C(F)(F)F)cc4[N+](=O)[O-])c3)ccnc21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.35
▸ GABRB3 P28472 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ GABRG1 Q8N1C3 1/20 0.33
▸ GABRG3 Q99928 1/20 0.33
▸ GABRQ Q9UN88 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TDP1 Q9NUW8 4/20 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
SCHEMBL4097360 0.91 GRM4 (0.40) GRM4GABRB3GABRPGABRDGABRA1
SCHEMBL4092731 0.83 GRM4 (0.43) GRM4KDM4EMEN1KMT2ANPC1
SCHEMBL4093448 0.81 GRM4 (0.36) GRM4
Trifluoroacetic Acid SCHEMBL4093219 0.79 GRM4 (0.46) GRM4CYP2D6CYP2C9
SCHEMBL29541085 0.78 GRM4 (0.48) GRM4GABRB3GABRPGABRDGABRA1
SCHEMBL99887 0.78 GRM4 (0.48) GRM4GABRB3GABRPGABRDGABRA1
SCHEMBL4092668 0.77 BCL2L1 (0.35) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4087603 0.76 GRM4 (0.36) GRM4
SCHEMBL4092722 0.75 GRM4 (0.51) GRM4
SCHEMBL4088864 0.74 GRM4 (0.42) GRM4

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 GRM4 2958/4885GABRB3 1423/4885GABRP 1596/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885GABRB3 1423/4885GABRP 1596/4885

“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.