SCHEMBL4088061

SCHEMBL4088061

O=C(On1ccc2c(-c3cnn(Cc4cccc([N+](=O)[O-])c4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.46
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CREBBP Q92793 1/20 0.34
PAX8 Q06710 1/20 0.34
THRB P10828 1/20 0.34
PDK2 Q15119 1/20 0.34
MET P08581 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL4092257 0.87 ALK (0.46) ALKADORA2AADORA1
SCHEMBL4082785 0.86 CREBBP (0.43) CREBBPPDK2
SCHEMBL4086711 0.86 KCNH2 (0.41) CREBBPPDK2
SCHEMBL4088821 0.84 ABL1 (0.42) CREBBPPDK2
SCHEMBL4092668 0.84 BCL2L1 (0.35) LMNAKMT2AALDH1A1POLBPDK2
SCHEMBL4082602 0.84 KLKB1 (0.36) CREBBPPDK2MET
SCHEMBL4093559 0.83 PDK2 (0.36) CREBBPPDK2
SCHEMBL4096356 0.81 ALDH1A1 (0.38) KMT2AALDH1A1POLBNPSR1MAPT
SCHEMBL4088108 0.81 CREBBP (0.32) CREBBPPDK2
SCHEMBL4082687 0.79 NPC1 (0.36) LMNAKMT2AALDH1A1POLBMAPT

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 ALK 458/4885LMNA 4785/4885KMT2A 780/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALK 458/4885LMNA 4785/4885KMT2A 780/4885

“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.