SCHEMBL4082073

SCHEMBL4082073

O=C(On1ccc2c(-n3cc(-c4ccccc4)cn3)ccnc21)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 6/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
CREBBP Q92793 1/20 0.33
ABL1 P00519 3/20 0.33
BCR P11274 3/20 0.33
HTR2B P41595 1/20 0.32
MTNR1A P48039 1/20 0.32
KCNH2 Q12809 1/20 0.32
MELK Q14680 1/20 0.32
MAP2K1 Q02750 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
ESR1 P03372 1/20 0.32
CAPN1 P07384 1/20 0.32
GPR119 Q8TDV5 2/20 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
SCHEMBL4095838 0.91 ABL1 (0.42) ABL1BCR
SCHEMBL4099618 0.88 MAPKAPK2 (0.43) GRM4ABL1BCRKCNH2CLK4
SCHEMBL4087925 0.86 PDE3B (0.33) RAB9A
SCHEMBL4092534 0.84 PDE10A (0.33) DYRK1B
SCHEMBL4097308 0.84 ALKBH2 (0.34)
SCHEMBL4092722 0.82 GRM4 (0.51) GRM4HTR2BMTNR1AKCNH2
SCHEMBL4096044 0.82 KIT (0.32)
SCHEMBL4098786 0.81 GRM4 (0.42) GRM4ABL1BCRHTR2BMTNR1A
SCHEMBL4082704 0.81 GRM4 (0.42) GRM4HTR2BMTNR1AKCNH2
SCHEMBL4088864 0.81 GRM4 (0.42) GRM4HTR2BMTNR1AKCNH2

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 2958/4885MEN1 3406/4885NPC1 4797/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 GRM4 2958/4885MEN1 3406/4885NPC1 4797/4885

“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.