SCHEMBL4092622

SCHEMBL4092622

COc1ccc(-c2ccn(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
CAPN1 P07384 1/20 0.35
CRHR1 P34998 2/20 0.34
HPGD P15428 3/20 0.34
CASP1 P29466 2/20 0.34

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 0.89 SCN4A (0.36) KDM4ECAPN1PARP1
SCHEMBL4093211 0.88 MAPT (0.35) MAPTNPC1RAB9AKMT2ANTRK1
SCHEMBL4099618 0.83 MAPKAPK2 (0.43) ALDH1A1KDM4EMAPTNTRK1PIM1
SCHEMBL4086540 0.78 KEAP1 (0.36) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
Trifluoroacetic Acid SCHEMBL4092614 0.76 MET (0.43) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL4082073 0.71 GRM4 (0.34) MEN1NPC1RAB9AKMT2ACAPN1
SCHEMBL4092534 0.70 PDE10A (0.33)
SCHEMBL29540798 0.69 MAPK1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL100644 0.69 MAPK1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL4095838 0.69 ABL1 (0.42) CYP1A2L3MBTL1

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 ALDH1A1 3413/4885KDM4E 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 ALDH1A1 3413/4885KDM4E 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.