Sugi Predict

Sugi Predict / Compounds / SCHEMBL4099618

SCHEMBL4099618

SCHEMBL4099618

COc1ccc(-c2cnn(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ ABL1 P00519 2/20 0.36
▸ BCR P11274 2/20 0.36
▸ KDR P35968 6/20 0.35
▸ BMP4 P12644 3/20 0.35
▸ BMPR1B O00238 1/20 0.35
▸ BMPR1A P36894 1/20 0.35
▸ ACVR1B P36896 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ ACVRL1 P37023 1/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ PRKAB1 Q9Y478 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ FLT1 P17948 2/20 0.34
▸ FLT4 P35916 2/20 0.34
▸ NTRK1 P04629 2/20 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
SCHEMBL4082073 0.88 GRM4 (0.34) ABL1BCRCLK4KCNH2GRM4
SCHEMBL4087925 0.85 PDE3B (0.33) KDM4EALDH1A1PTPN11MAPT
SCHEMBL4092622 0.83 ALDH1A1 (0.40) KDM4EALDH1A1NTRK1MAPTHPGD
SCHEMBL4095838 0.83 ABL1 (0.42) ABL1BCRKDRMARK3
SCHEMBL4092534 0.81 PDE10A (0.33) —
SCHEMBL4095384 0.79 GRM4 (0.41) EGLN1KCNH2GRM4
SCHEMBL4096044 0.79 KIT (0.32) KDR
SCHEMBL4097308 0.77 ALKBH2 (0.34) EGLN1
Trifluoroacetic Acid SCHEMBL4099614 0.75 PRKCI (0.48) MAPKAPK2EGLN1ABL1BCRAURKA
SCHEMBL4082428 0.75 ABL1 (0.37) ABL1BCRKCNH2GRM4

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 MAPKAPK2 120/4885KDM4E 528/4885ALDH1A1 3413/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPKAPK2 120/4885KDM4E 528/4885ALDH1A1 3413/4885

“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.