SCHEMBL29976032

SCHEMBL29976032

CC(C)(C)Nc1nc(NCc2ccccc2)nc(-c2cnccc2N)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR68 Q15743 6/20 0.52
KCNH3 Q9ULD8 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.43
HTR2B P41595 1/20 0.43
IDH2 P48735 1/20 0.42
GAA P10253 1/20 0.41
APP P05067 1/20 0.39
BRS3 P32247 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR1A P08908 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22261660 1.00 GPR68 (0.52) GPR68KCNH3NPSR1ADORA2AHTR2B
SCHEMBL16489591 0.68 KDM4C (0.60) KCNH3MEN1ALDH1A1HPGDKMT2A
SCHEMBL3298289 0.67 KCNH3 (0.73) KCNH3NPSR1GAAAPPALDH1A1
SCHEMBL6727019 0.65 NPSR1 (0.74) GPR68KCNH3NPSR1ADORA2AHTR2B
SCHEMBL16489564 0.65 KDM4C (0.56) KCNH3BRS3MEN1ALDH1A1HPGD
SCHEMBL23139067 0.65 KCNH3 (0.56) KCNH3GAAAPP
SCHEMBL15102205 0.64 IDH2 (0.83) KCNH3NPSR1IDH2NPC1RAB9A
SCHEMBL29763357 0.64 IDH2 (0.83) KCNH3NPSR1IDH2NPC1RAB9A
SCHEMBL22698976 0.64 KMT2A (0.53) NPSR1BRS3RAB9AMEN1ALDH1A1
SCHEMBL14869402 0.62 NPSR1 (0.64) GPR68KCNH3NPSR1ADORA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12433895-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2025-10-07 US disclosed
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE PHARMARESROUCES (SHANGHAI) CO., LTD. (CN) 2024-10-10 US disclosed
US-11844758-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-12-19 US disclosed
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC 2022-11-10 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 (4 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-12433895-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT GPR68 3124/4885KCNH3 4722/4885NPSR1 3594/4885
US-11844758-B2 Therapeutically active compounds and their methods of use MCL1, TP53, BRDT GPR68 3124/4885KCNH3 4722/4885NPSR1 3594/4885
US-20240335448-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT GPR68 3124/4885KCNH3 4722/4885NPSR1 3594/4885
US-20220354856-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE MCL1, TP53, BRDT GPR68 3124/4885KCNH3 4722/4885NPSR1 3594/4885

“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.