SCHEMBL30823749

SCHEMBL30823749

Nc1ccc2[nH]nc(C3CCCCO3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.42
▸ AXL P30530 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ PIM1 P11309 1/20 0.34
▸ PIM2 Q9P1W9 1/20 0.34
▸ ULK1 O75385 3/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ PDPK1 O15530 3/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ AURKA O14965 2/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ AURKB Q96GD4 1/20 0.31

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
SCHEMBL3668219 0.84 NUDT1 (0.35) GSK3BHTR2CPIM1PIM2HTR1D
SCHEMBL30540792 0.80 RAB9A (0.42) PIM1PIM2PDPK1KDM4EAURKA
SCHEMBL2471366 0.79 GSK3B (0.47) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL31422750 0.76 GSK3B (0.46) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL22890269 0.76 GSK3B (0.46) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL787833 0.76 GSK3B (0.31) GSK3BPIM1PIM2
SCHEMBL5562287 0.76 KDM4E (0.41) HTR2APIM1PIM2PDPK1KDM4E
SCHEMBL23772457 0.74 KDM4E (0.38) GSK3BAXLHTR2AHTR2CHTR2B
SCHEMBL31586483 0.73 GAA (0.38) GSK3BAXLPIM1PIM2PDPK1
SCHEMBL25274990 0.73 GSK3B (0.43) GSK3BAXLHTR2AHTR2CHTR2B

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-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 — — US disclosed
CN-111655681-B Heterocyclylamino-substituted triazoles as modulators of Rho-related protein kinases 莱德克斯制药公共有限公司 2024-01-05 — — 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-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA GSK3B 68/4885AXL 3389/4885HTR2A 2999/4885

“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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