SCHEMBL3540996

SCHEMBL3540996

CC(C)N1CCN(c2ccc(N)c(N)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ PKM P14618 2/20 0.56
▸ GAA P10253 4/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ HTT P42858 2/20 0.49
▸ PTK2B Q14289 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ RAD52 P43351 1/20 0.45
▸ KHK P50053 1/20 0.45
▸ S100B P04271 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LGMN Q99538 2/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.42

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
SCHEMBL22171241 0.86 GAA (0.62) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL13981463 0.85 MAPT (0.60) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL22171249 0.85 MAPT (0.51) MAPTKDM4EALDH1A1PKMGAA
Hydrochloric Acid SCHEMBL22165259 0.83 MAPT (0.50) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL26109954 0.83 KDM4E (0.50) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL2209498 0.82 ALDH1A1 (0.49) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL2205823 0.82 MAPT (0.49) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL310368 0.82 ALDH1A1 (0.49) MAPTKDM4EALDH1A1PKMGAA
SCHEMBL2206359 0.82 ALDH1A1 (0.49) MAPTKDM4EALDH1A1PKMKMT2A
SCHEMBL2978442 0.81 MAPT (0.47) MAPTKDM4EALDH1A1PKMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642278-B2 Nitrogen compounds such as 3-(5-morpholin-4-yl-1H-benz-imidazol-2-yl)-1H-indazole and/or isomers, used as immunology modulators, antidiabetic agents, antiogenesis inhibitors or for prophylaxis of Alzheimer's disease NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-01-05 — — US disclosed
US-7064215-B2 Indazole benzimidazole compounds CHIRON CORPORATION (US) 2006-06-20 — — US disclosed
US-20060079564-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2006-04-13 — — US disclosed
US-20030207883-A1 Indazole benzimidazole compounds CHIRON CORPORATION 2003-11-06 — — 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 (2 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-20060079564-A1 Indazole benzimidazole compounds ABL1, ABL2, ALK MAPT 19/4885KDM4E 2648/4885ALDH1A1 1562/4885
US-20030207883-A1 Indazole benzimidazole compounds SLCO1B3, SLCO1B1, SLCO4C1 MAPT 1127/4885KDM4E 3618/4885ALDH1A1 618/4885

“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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