SCHEMBL4082687

SCHEMBL4082687

O=C(On1ccc2c(-c3cnn(Cc4ccco4)c3)ccnc21)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 7/20 0.35
TP53 P04637 5/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL4082785 0.86 CREBBP (0.43) L3MBTL1
SCHEMBL4088108 0.84 CREBBP (0.32)
SCHEMBL4096356 0.84 ALDH1A1 (0.38) KDM4EMAPTRAB9AKMT2APOLB
SCHEMBL4088821 0.84 ABL1 (0.42) KDM4EL3MBTL1
SCHEMBL4093042 0.83 PLA2G1B (0.34) MAPTALDH1A1
SCHEMBL4092257 0.82 ALK (0.46)
SCHEMBL4082602 0.82 KLKB1 (0.36)
SCHEMBL4086711 0.81 KCNH2 (0.41)
SCHEMBL4092070 0.81 TBK1 (0.37)
SCHEMBL4093559 0.81 PDK2 (0.36)

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 NPC1 4797/4885KDM4E 528/4885MAPT 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 NPC1 4797/4885KDM4E 528/4885MAPT 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.