SCHEMBL22940783

SCHEMBL22940783

CC(C)(N)Cn1ccnc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.40
TLR8 Q9NR97 2/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
AGTR2 P50052 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL18010007 0.78 FDPS (0.53) KCNH2FDPSALDH1A1POLBKMT2A
SCHEMBL464563 0.78 KCNH2 (0.43) KCNH2TLR8FDPSALDH1A1POLB
Bromide SCHEMBL6182786 0.76 KCNH2 (0.40) KCNH2TLR8ALDH1A1POLBKMT2A
SCHEMBL18905838 0.74 KMT2A (0.44) KCNH2TLR8ALDH1A1POLBKMT2A
SCHEMBL29295561 0.73 KCNH2 (0.40) KCNH2TLR8FDPSALDH1A1POLB
SCHEMBL13861389 0.72 KCNH2 (0.40) KCNH2ALDH1A1POLBKMT2A
SCHEMBL26192330 0.70 KCNH2 (0.42) KCNH2
SCHEMBL7426195 0.70 SMN1; SMN2 (0.41) KCNH2AGTR2
SCHEMBL13888854 0.70 KCNH2 (0.39) KCNH2ALDH1A1POLBKMT2A
SCHEMBL11915914 0.69 KCNH2 (0.50) KCNH2FDPSALDH1A1KMT2A

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 KCNH2 2761/4885TLR8 712/4885FDPS 231/4885
US-11584745-B2 Aromatic heterocyclic compound, intermediate thereof, preparation method therefor, and pharmaceutical composition and use thereof ALK, NOTUM, WEE1 KCNH2 2761/4885TLR8 712/4885FDPS 231/4885

“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.