SCHEMBL15064233

SCHEMBL15064233

CCn1c2ccccc2c2cc(Nc3ccnc(Cl)n3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAC1 P63000 1/20 0.57
▸ MAPT P10636 11/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CREBBP Q92793 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KDM1A O60341 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPY5R Q15761 4/20 0.47
▸ DRD3 P35462 1/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ GAA P10253 1/20 0.46

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
SCHEMBL22650914 0.91 RAC1 (0.51) RAC1MAPTMAPK1HTTPOLB
SCHEMBL20945450 0.84 MAPT (0.57) RAC1MAPTMAPK1HTTPOLB
SCHEMBL20945473 0.81 RAC1 (0.69) RAC1MAPTMAPK1HTTPOLB
SCHEMBL25179738 0.79 NPSR1 (0.68) MAPTMAPK1HTTPOLBTSHR
SCHEMBL20966330 0.79 RAC1 (0.67) RAC1MAPTMAPK1HTTPOLB
SCHEMBL16229866 0.77 RAC1 (0.39) RAC1MAPTMAPK1HTTPOLB
SCHEMBL29920559 0.77 RAC1 (0.55) RAC1MAPTMAPK1HTTPOLB
SCHEMBL20966336 0.77 RAC1 (0.55) RAC1MAPTMAPK1HTTPOLB
SCHEMBL20945474 0.76 RAC1 (0.63) RAC1MAPTMAPK1HTTPOLB
SCHEMBL2287907 0.76 NPSR1 (0.63) MAPTMAPK1HTTPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8884006-B2 Small-molecule inhibitors of Rac1 in metastatic breast cancer UNIVERSITY OF PUERTO RICO (US) 2014-11-11 — — US claimed
US-20130172552-A1 Novel Small-Molecule Inhibitors of Rac1 in Metastatic Breast Cancer UNIVERSITY OF PUERTO RICO (US) 2013-07-04 — — US claimed
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2022-09-20 — — US disclosed
US-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIV PUERTO RICO (US) 2020-11-12 — — US disclosed
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents UNIVERSITY OF PUERTO RICO (US) 2020-08-04 — — US disclosed
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS UNIVERSITY OF PUERTO RICO (PR) 2019-05-02 — — US disclosed
US-9278956-B1 Small-molecule inhibitors of Rac1 in metastatic cancer cells UNIVERSITY OF PUERTO RICO (US) 2016-03-08 — — US disclosed
US-8884006-B2 Small-molecule inhibitors of Rac1 in metastatic breast cancer UNIVERSITY OF PUERTO RICO (US) 2014-11-11 — — US disclosed
US-20130172552-A1 Novel Small-Molecule Inhibitors of Rac1 in Metastatic Breast Cancer UNIVERSITY OF PUERTO RICO (US) 2013-07-04 — — US disclosed
US-20130172552-A1 Novel Small-Molecule Inhibitors of Rac1 in Metastatic Breast Cancer UNIVERSITY OF PUERTO RICO (US) 2013-07-04 — — 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 (5 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-20200352941-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, ARHGDIB RAC1 6/4885MAPT 4054/4885MAPK1 395/4885
US-11446299-B2 Carbazole EHop-016 derivatives as anticancer and anti-migratory agents CDC42, ARHGEF2, HRAS RAC1 7/4885MAPT 3790/4885MAPK1 351/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS RAC1 5/4885MAPT 3896/4885MAPK1 482/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 RAC1 7/4885MAPT 3908/4885MAPK1 393/4885
US-20130172552-A1 Novel Small-Molecule Inhibitors of Rac1 in Metastatic Breast Cancer TIAM1, RAC1, CDC42 RAC1 2/4885MAPT 3419/4885MAPK1 604/4885

“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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