SCHEMBL27091101

SCHEMBL27091101

c1ccc2nc(C3CC3)c(-c3cn[nH]c3)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ ILK Q13418 1/20 0.43
▸ LCK P06239 2/20 0.41
▸ ROCK2 O75116 5/20 0.40
▸ CDK2 P24941 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ PDE10A Q9Y233 5/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ GRM4 Q14833 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ FGFR3 P22607 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL30616902 0.74 AKT2 (0.48) AKT1AKT2ILKROCK2CDK2
SCHEMBL30616953 0.74 AKT2 (0.48) AKT1AKT2ILKCDK2FLT3
SCHEMBL29077582 0.74 AKT2 (0.48) AKT1AKT2ILKROCK2CDK2
SCHEMBL27091366 0.74 AKT2 (0.48) AKT1AKT2ILKCDK2FLT3
SCHEMBL28079387 0.71 L3MBTL1 (0.58) LCKPDE10AADORA2AADORA1
SCHEMBL7699018 0.68 PDE10A (0.49) AKT1AKT2PDE10A
SCHEMBL30875422 0.68 ROCK2 (0.39) ROCK2CDK2FLT3CCNA1STING1
SCHEMBL31123079 0.68 CDK2 (0.60) AKT1AKT2ILKCDK2FLT3
Hydrochloric Acid SCHEMBL9989517 0.67 PDE10A (0.48) AKT1AKT2PDE10A
SCHEMBL7261511 0.67 KDM4E (0.67) AKT1AKT2ILKROCK2ADORA1

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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-15 — — US disclosed
EP-4225749-A1 COMPOUNDS AND METHODS OF TREATING CANCERS Cullgen (Shanghai), Inc. (CN) 2023-08-16 — — EP 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
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 — — 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-20240050428-A1 COMPOUNDS AND METHODS OF TREATING CANCERS GSPT1, GGT1, VHL AKT1 3490/4885AKT2 3169/4885ILK 4774/4885

“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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