SCHEMBL4082685

SCHEMBL4082685

O=C(On1ccc2c(-c3cnn(Cc4cc(C(F)(F)F)ccc4F)c3)ccnc21)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
TEC P42680 1/20 0.37
TXK P42681 1/20 0.37
BMX P51813 1/20 0.37
BTK Q06187 1/20 0.37
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
ALK Q9UM73 3/20 0.35
KDR P35968 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
BRAF P15056 1/20 0.33
PIM1 P11309 1/20 0.33
P2RX7 Q99572 1/20 0.33
ATM Q13315 1/20 0.32
RIPK1 Q13546 2/20 0.32
KCNH2 Q12809 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
SCHEMBL4092257 0.86 ALK (0.46) ALKADORA3ADORA2AADORA2BADORA1
SCHEMBL4093042 0.82 PLA2G1B (0.34) GRM4ALKKDRATM
SCHEMBL4082785 0.82 CREBBP (0.43) JAK1
SCHEMBL4093559 0.80 PDK2 (0.36) GRM4KCNH2GRIN2B
SCHEMBL4082687 0.79 NPC1 (0.36)
SCHEMBL4096356 0.79 ALDH1A1 (0.38) GRM4
SCHEMBL4088821 0.79 ABL1 (0.42)
SCHEMBL4088108 0.79 CREBBP (0.32)
SCHEMBL4092668 0.79 BCL2L1 (0.35) KDRADORA2AADORA1ATM
SCHEMBL4082602 0.79 KLKB1 (0.36) CYP2C9CYP2C19

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 GRM4 2958/4885TEC 338/4885TXK 483/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885TEC 338/4885TXK 483/4885

“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.