SCHEMBL27090940

SCHEMBL27090940

N#CCCc1cccc(-n2cc(-c3cnc4ccccc4n3)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.46
▸ MKNK1 Q9BUB5 5/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ FGFR3 P22607 4/20 0.38
▸ FGFR1 P11362 3/20 0.38
▸ FGFR2 P21802 3/20 0.38
▸ FGFR4 P22455 3/20 0.38
▸ KDR P35968 3/20 0.38
▸ GRM4 Q14833 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MKNK2 Q9HBH9 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ BCHE P06276 1/20 0.35

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
SCHEMBL29590420 1.00 GRM5 (0.46) GRM5MKNK1JAK2JAK3MEN1
SCHEMBL27091118 0.84 NPC1 (0.41) GRM5MKNK1NPC1RAB9AFGFR3
SCHEMBL29589569 0.84 NPC1 (0.41) GRM5MKNK1NPC1RAB9AFGFR3
SCHEMBL5218314 0.78 GRM4 (0.54) GRM5MKNK1MEN1KMT2ANPC1
SCHEMBL5216495 0.77 GRM4 (0.54) NPC1RAB9AGRM4SMN1; SMN2BCHE
SCHEMBL8353703 0.77 BCHE (0.51) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL5217224 0.77 MKNK1 (0.52) GRM5MKNK1JAK3MEN1KMT2A
SCHEMBL5217700 0.77 NPC1 (0.45) GRM5MKNK1JAK2JAK3NPC1
SCHEMBL5216692 0.75 MKNK1 (0.57) MKNK1NPC1RAB9AFGFR3FGFR1
SCHEMBL5216715 0.75 ALDH1A1 (0.48) GRM5MKNK1MEN1KMT2ANPC1

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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 — — US disclosed
CN-116583509-A Compounds and methods for treating cancer 上海睿跃生物科技有限公司 2023-08-11 — — CN 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL GRM5 2249/4885MKNK1 3308/4885JAK2 2513/4885

“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.

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