SCHEMBL22988974

SCHEMBL22988974

c1ccc(-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccc5cccc6sc7cccc8ccc3c(c87)c4c56)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGES O14684 1/20 0.36
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
PTGER4 P35408 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32

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
SCHEMBL22989221 0.87 KDM4E (0.37) KDM4EATML3MBTL1PTGESCYP1A1
SCHEMBL19239427 0.85 KDM4E (0.35) KDM4EATML3MBTL1PTGER4SMN1; SMN2
SCHEMBL17904171 0.85 KDM4E (0.33) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL19769795 0.85 KDM4E (0.35) KDM4EATML3MBTL1TSHRSMN1; SMN2
SCHEMBL22267428 0.84 KDM4E (0.35) KDM4EATML3MBTL1PTGER4PDE1B
SCHEMBL17246675 0.84 L3MBTL1 (0.40) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL17246671 0.84 L3MBTL1 (0.42) KDM4EATML3MBTL1PTGESPTGER4
SCHEMBL16283285 0.84 L3MBTL1 (0.38) KDM4EATML3MBTL1PTGESCYP1A1
SCHEMBL16283228 0.84 L3MBTL1 (0.38) KDM4EATML3MBTL1PTGESCYP1A1
SCHEMBL15197806 0.84 PTGES (0.41) KDM4EATML3MBTL1PTGESCYP1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed
US-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 AUSPEX PHARMACEUTICALS, INC. 2016-11-24 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 (1 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-20160340361-A1 PIPERIDINE INHIBITORS OF JANUS KINASE 3 JAK2, JAK3, PAK3 KDM4E 568/4885ATM 1893/4885L3MBTL1 4459/4885

“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.