SCHEMBL27091366

SCHEMBL27091366

Cc1nc2ccccc2nc1-c1cn[nH]c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 2/20 0.48
▸ AKT1 P31749 1/20 0.48
▸ ILK Q13418 1/20 0.47
▸ CYP1A2 P05177 2/20 0.43
▸ GRM4 Q14833 2/20 0.43
▸ PDE2A O00408 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ CDK2 P24941 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ CCNA1 P78396 1/20 0.38
▸ STING1 Q86WV6 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
SCHEMBL30616953 1.00 AKT2 (0.48) AKT2AKT1ILKCYP1A2GRM4
SCHEMBL30616902 0.79 AKT2 (0.48) AKT2AKT1ILKGRM4TDP1
SCHEMBL29077582 0.79 AKT2 (0.48) AKT2AKT1ILKGRM4TDP1
SCHEMBL31135158 0.75 TDP1 (0.67) AKT2AKT1CYP1A2PDE10ATDP1
SCHEMBL923856 0.75 TDP1 (0.67) AKT2AKT1CYP1A2PDE10ATDP1
SCHEMBL27091101 0.74 AKT1 (0.43) AKT2AKT1ILKGRM4PDE10A
SCHEMBL25314526 0.72 ADORA2A (0.65) AKT2AKT1ILKCYP1A2ADORA2A
SCHEMBL18136587 0.72 TDP1 (0.74) CYP1A2TDP1ADORA2AADORA1KDM4E
SCHEMBL19169623 0.72 TDP1 (0.68) AKT2AKT1CYP1A2PDE10ATDP1
SCHEMBL29610236 0.72 TDP1 (0.74) CYP1A2TDP1ADORA2AADORA1KDM4E

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 AKT2 3169/4885AKT1 3490/4885ILK 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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