SCHEMBL4093211

SCHEMBL4093211

O=C(On1ccc2c(-n3ccc(-c4ccc(Cl)cc4)n3)ccnc21)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.33
KMO O15229 1/20 0.32
GPR119 Q8TDV5 5/20 0.32
CAPN1 P07384 1/20 0.32
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
ACVR1 Q04771 1/20 0.31
SCN9A Q15858 1/20 0.31
MAP4K4 O95819 2/20 0.31
LDHA P00338 1/20 0.31

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
SCHEMBL4092185 0.91 SCN4A (0.36) CAPN1
SCHEMBL4092622 0.88 ALDH1A1 (0.40) MAPTNPC1RAB9AKMT2ACAPN1
SCHEMBL4092160 0.82 KMO (0.41) KMT2AKMOCAPN1
SCHEMBL4087914 0.81 MAPT (0.39) MAPTNPC1RAB9A
SCHEMBL4086540 0.80 KEAP1 (0.36) MAPTNPC1RAB9AKMT2APIM1
Trifluoroacetic Acid SCHEMBL4093205 0.73 AKT1 (0.43) MAPTNPC1RAB9AKMT2ACAPN1
SCHEMBL4082073 0.72 GRM4 (0.34) NPC1RAB9AKMT2AGPR119CAPN1
SCHEMBL4092534 0.71 PDE10A (0.33)
SCHEMBL4099618 0.71 MAPKAPK2 (0.43) MAPTNTRK1PIM1ACVR1MAP4K4
SCHEMBL4095838 0.70 ABL1 (0.42)

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 MAPT 3547/4885NPC1 4797/4885RAB9A 2893/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885NPC1 4797/4885RAB9A 2893/4885

“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.