SCHEMBL20945435

SCHEMBL20945435

CCn1c2ccccc2c2cc(-c3cnc(NCC4CCCCN4)nc3N)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ NPY5R Q15761 6/20 0.40
▸ PTGER4 P35408 8/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAPK3 P27361 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HBB P68871 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CDK4 P11802 1/20 0.37

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
SCHEMBL20945437 0.78 ACP1 (0.42) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL29920774 0.77 RAC1 (0.57) SYKKCNH2NPY5RMAPK1MAPK3
SCHEMBL20966327 0.77 RAC1 (0.57) SYKKCNH2NPY5RMAPK1MAPK3
SCHEMBL20945465 0.77 PTGER4 (0.47) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL15064102 0.74 RAC1 (0.64) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL5883938 0.71 PTGER4 (0.59) PTGER4
SCHEMBL20945431 0.71 PDE10A (0.41) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL22634319 0.68 ALDH1A1 (0.39) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL17809436 0.66 KDM4E (0.61) NPY5RPTGER4MAPK1KDM4EMEN1
SCHEMBL20945433 0.65 KDM4E (0.55) NPY5RPTGER4MAPK1KDM4EMEN1

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 3 patents. 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 SYK 3863/4885KCNH2 4697/4885NPY5R 4104/4885
US-20190125746-A1 NOVEL CARBAZOLE EHOP-016 DERIVATIVES AS ANTI-CANCER AND ANTI-MIGRATORY AGENTS CDC42, ARHGEF2, HRAS SYK 3649/4885KCNH2 4712/4885NPY5R 4274/4885
US-10729689-B2 Carbazole EHop-016 derivatives as anti-cancer and anti-migratory agents CDC42, ARHGEF2, GDI2 SYK 3889/4885KCNH2 4723/4885NPY5R 4077/4885

“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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