SCHEMBL4093042

SCHEMBL4093042

O=C(On1ccc2c(-c3cnn(Cc4ccccc4Br)c3)ccnc21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
ATM Q13315 1/20 0.33
KDR P35968 1/20 0.33
GRM4 Q14833 5/20 0.32
CREBBP Q92793 2/20 0.32
ALK Q9UM73 1/20 0.31
PDK2 Q15119 4/20 0.31
COMT P21964 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30

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 0.87 CREBBP (0.43) CREBBPPDK2COMT
SCHEMBL4092668 0.86 BCL2L1 (0.35) ATMKDRPDK2ALDH1A1
SCHEMBL4088821 0.83 ABL1 (0.42) CREBBPPDK2
SCHEMBL4096356 0.83 ALDH1A1 (0.38) GRM4CREBBPPDK2ALDH1A1MAPT
SCHEMBL4082687 0.83 NPC1 (0.36) ALDH1A1MAPT
SCHEMBL4082602 0.83 KLKB1 (0.36) CREBBPPDK2COMT
SCHEMBL4082685 0.82 GRM4 (0.37) ATMKDRGRM4ALK
SCHEMBL4088108 0.81 CREBBP (0.32) CREBBPPDK2COMT
SCHEMBL4092257 0.81 ALK (0.46) ALK
SCHEMBL4086711 0.80 KCNH2 (0.41) ATMCREBBPPDK2

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 PLA2G1B 2973/4885ATG4B 3184/4885ATM 1090/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PLA2G1B 2973/4885ATG4B 3184/4885ATM 1090/4885

“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.