SCHEMBL4087914

SCHEMBL4087914

COc1cccc(-c2ccn(-c3ccnc4c3ccn4OC(=O)C(F)(F)F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
THRB P10828 2/20 0.39
DYRK1A Q13627 2/20 0.39
RORC P51449 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
FYN P06241 3/20 0.37
MAP4K2 Q12851 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MAPK10 P53779 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4092622 0.89 ALDH1A1 (0.40) MAPTHSD17B10SMN1; SMN2LMNAKDM4E
SCHEMBL4092160 0.87 KMO (0.41) KDM4EALDH1A1FYN
SCHEMBL4082713 0.86 HSD17B10 (0.37) MAPTTHRBDYRK1AHSD17B10SMN1; SMN2
SCHEMBL4086540 0.84 KEAP1 (0.36) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL4092185 0.82 SCN4A (0.36) KDM4E
SCHEMBL4093211 0.81 MAPT (0.35) MAPTNPC1RAB9A
Trifluoroacetic Acid SCHEMBL4087911 0.78 CYP2D6 (0.43) MAPTTHRBDYRK1ARORCHSD17B10
SCHEMBL4099618 0.75 MAPKAPK2 (0.43) MAPTDYRK1AKDM4EALDH1A1HPGD
SCHEMBL29541714 0.72 ROCK2 (0.44) DYRK1AMAPK10
SCHEMBL100082 0.72 ROCK2 (0.44) DYRK1AMAPK10

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 3547/4885THRB 2530/4885DYRK1A 131/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 MAPT 3547/4885THRB 2530/4885DYRK1A 131/4885

“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.