Sugi Predict

Sugi Predict / Compounds / SCHEMBL17033976

SCHEMBL17033976

SCHEMBL17033976

CC(=O)Nc1ccc(OCF)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.77
▸ KMT2A Q03164 5/20 0.73
▸ MEN1 O00255 4/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ LMNA P02545 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.73
▸ MAPT P10636 4/20 0.67
▸ HTT P42858 3/20 0.61
▸ RAB9A P51151 3/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ ADRB2 P07550 1/20 0.55
▸ ADRB1 P08588 1/20 0.55
▸ ADRB3 P13945 1/20 0.55
▸ OPRK1 P41145 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ TSHR P16473 1/20 0.55

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
SCHEMBL10457898 0.87 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL11111056 0.86 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1CYP1A2LMNA
Phenacetin SCHEMBL18894356 0.85 KMT2A (1.00) ALDH1A1KMT2AMEN1CYP1A2LMNA
Phenacetin SCHEMBL23280 0.85 KMT2A (1.00) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL10802880 0.85 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL9570672 0.83 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL7473314 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL10608486 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL1064813 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1CYP1A2LMNA
SCHEMBL10993278 0.83 KMT2A (0.71) ALDH1A1KMT2AMEN1CYP1A2LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 — — US disclosed
US-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-09-22 — — US disclosed
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2015-08-27 — — 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 (3 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-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885KMT2A 780/4885MEN1 3406/4885
US-20150238492-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885KMT2A 780/4885MEN1 3406/4885
US-20160272648-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885KMT2A 780/4885MEN1 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.