SCHEMBL22940967

SCHEMBL22940967

COc1ncccc1-c1ccn(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
HRH4 Q9H3N8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
BTK Q06187 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
KMT2A Q03164 1/20 0.42
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
JMJD6 Q6NYC1 1/20 0.39
CHRNA7 P36544 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL29290716 0.79 JMJD6 (0.47) RAB9ANPC1L3MBTL1KMT2ACASP6
SCHEMBL15885475 0.77 CASP6 (0.47) KMT2ACASP6JMJD6PDE2APDE10A
SCHEMBL19480883 0.76 KEAP1 (0.46) KMT2ACASP6JMJD6JAK2JAK3
SCHEMBL22940968 0.76 CASP6 (0.49) KMT2ACASP6KDM4EJMJD6
SCHEMBL1850624 0.76 KMT2A (0.44) KMT2ACASP6MAPTJMJD6
SCHEMBL30837694 0.74 RAB9A (0.45) RAB9ANPC1HRH4L3MBTL1BTK
SCHEMBL12844824 0.74 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTJAK2
SCHEMBL29685392 0.74 KMT2A (0.50) KMT2AKDM4EALDH1A1MAPTJAK2
SCHEMBL15344911 0.73 CCR1 (0.52) RAB9ANPC1HRH4L3MBTL1BTK
SCHEMBL12676837 0.73 BTK (0.48) RAB9ANPC1HRH4L3MBTL1BTK

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
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2023-02-21 US disclosed
US-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2021-02-04 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-20210032241-A1 AROMATIC HETEROCYCLIC COMPOUND, INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ALK, NOTUM, WEE1 RAB9A 3746/4885NPC1 362/4885HRH4 178/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 RAB9A 3746/4885NPC1 362/4885HRH4 178/4885

“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.