SCHEMBL29920699

SCHEMBL29920699

CCn1c2ccccc2c2cc(Nc3ccnc(NCCC4CCCN4C)n3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC1 P63000 1/20 0.65
▸ RAD52 P43351 2/20 0.47
▸ ADRA2A P08913 1/20 0.43
▸ NMT1 P30419 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ERAP1 Q9NZ08 1/20 0.42
▸ CAMK2D Q13557 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ LCK P06239 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ TEK Q02763 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ HRH2 P25021 1/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL20966319 1.00 RAC1 (0.65) RAC1RAD52ADRA2ANMT1NPC1
SCHEMBL20966330 0.81 RAC1 (0.67) RAC1NPC1RAB9APOLBMAPT
SCHEMBL20945473 0.81 RAC1 (0.69) RAC1POLBMAPTTSHRMAPK1
SCHEMBL15087053 0.79 RAC1 (1.00) RAC1RAD52NPC1RAB9APOLB
SCHEMBL29414239 0.79 RAC1 (1.00) RAC1RAD52NPC1RAB9APOLB
SCHEMBL29558403 0.79 RAC1 (1.00) RAC1RAD52NPC1RAB9APOLB
SCHEMBL20945437 0.78 ACP1 (0.42) RAC1RAD52ADRA2ANMT1NPC1
SCHEMBL20966327 0.77 RAC1 (0.57) RAC1AURKBPOLBMAPTTSHR
SCHEMBL29920774 0.77 RAC1 (0.57) RAC1AURKBPOLBMAPTTSHR
SCHEMBL20966317 0.77 RAC1 (0.71) RAC1NPC1RAB9APOLBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 — — US 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-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS RAC1 7/4885RAD52 4080/4885ADRA2A 1694/4885

“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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