SCHEMBL29601482

SCHEMBL29601482

Cc1sc(Nc2cc(C(=O)NCC(F)(F)F)ccn2)nc1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.45
CHEK1 O14757 2/20 0.41
CDK7 P50613 2/20 0.41
ROCK2 O75116 1/20 0.41
GRM4 Q14833 1/20 0.40
ULK1 O75385 1/20 0.40
KCNN1 Q92952 1/20 0.39
KCNN2 Q9H2S1 1/20 0.39
KCNN3 Q9UGI6 1/20 0.39
SLC2A1 P11166 1/20 0.39
LCK P06239 2/20 0.39
TGFBR1 P36897 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK10 P53779 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
JAK2 O60674 1/20 0.38
LYN P07948 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL24358064 1.00 GABRA5 (0.45) GABRA5CHEK1CDK7ROCK2GRM4
SCHEMBL30745668 0.88 GABRA5 (0.42) GABRA5CHEK1CDK7ULK1KCNN1
SCHEMBL24358184 0.88 GABRA5 (0.42) GABRA5CHEK1CDK7ULK1KCNN1
SCHEMBL29601197 0.87 CHEK1 (0.42) GABRA5CHEK1CDK7ULK1KCNN1
Bromide SCHEMBL29601855 0.82 KDM4A (0.49) ROCK2GRM4KCNN1KCNN2KCNN3
Bromide SCHEMBL27039758 0.82 KDM4A (0.49) ROCK2GRM4KCNN1KCNN2KCNN3
SCHEMBL29078755 0.82 KCNN1 (0.42) ROCK2GRM4KCNN1KCNN2KCNN3
SCHEMBL24358255 0.82 KCNN1 (0.56) KCNN1KCNN2KCNN3SLC2A1ALDH1A1
SCHEMBL29601694 0.82 KCNN1 (0.56) KCNN1KCNN2KCNN3SLC2A1ALDH1A1
SCHEMBL24358115 0.81 SCN9A (0.40) GABRA5CHEK1CDK7ULK1TGFBR1

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA GABRA5 2324/4885CHEK1 4707/4885CDK7 3013/4885

“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.