SCHEMBL27091284

SCHEMBL27091284

Cc1n[nH]cc1-c1nc2ccccc2nc1C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 4/20 0.39
▸ MAPT P10636 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ GPR3 P46089 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ STAT3 P40763 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
SCHEMBL29589542 1.00 CYP1A2 (0.41) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL29077711 0.85 TDP1 (0.39) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL30616897 0.85 TDP1 (0.39) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL27992967 0.71 ALDH1A1 (0.79) ALDH1A1KDM4EL3MBTL1LMNAGAA
SCHEMBL3379956 0.71 AKT2 (0.44) ALDH1A1L3MBTL1
SCHEMBL27888678 0.70 CYP1A2 (0.46) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL27993150 0.70 MBNL1 (0.62) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL27091366 0.70 AKT2 (0.48) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL30616953 0.70 AKT2 (0.48) CYP1A2ALDH1A1KDM4EMAPTTDP1
SCHEMBL687432 0.70 ILK (0.56) ALDH1A1KDM4EMAPTTDP1L3MBTL1

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 CYP1A2 2767/4885ALDH1A1 860/4885KDM4E 2150/4885

“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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