Sugi Predict

Sugi Predict / Compounds / SCHEMBL4082713

SCHEMBL4082713

SCHEMBL4082713

COc1cccc(-c2cn(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSP90AA1 P07900 4/20 0.36
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ THRB P10828 2/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL4087914 0.86 MAPT (0.39) HSD17B10SMN1; SMN2MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4082706 0.76 CYP2D6 (0.44) HSD17B10SMN1; SMN2MAPTKDM4EPSEN1
SCHEMBL4099618 0.74 MAPKAPK2 (0.43) MAPTKDM4EALDH1A1HPGDDYRK1A
SCHEMBL4092160 0.73 KMO (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL4082073 0.71 GRM4 (0.34) KMT2A
SCHEMBL4086540 0.71 KEAP1 (0.36) SMN1; SMN2MAPTKDM4EALDH1A1MAPK1
SCHEMBL29540736 0.70 CYP2D6 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL101287 0.70 CYP2D6 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4095838 0.69 ABL1 (0.42) HSP90AA1CYP1A2
SCHEMBL4092185 0.68 SCN4A (0.36) KDM4E

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 HSD17B10 3132/4885SMN1; SMN2 3741/4885MAPT 3547/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 HSD17B10 3132/4885SMN1; SMN2 3741/4885MAPT 3547/4885

“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.