SCHEMBL13657496

SCHEMBL13657496

C=C(O[Si](C)(C)C)c1cnccn1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ NAPRT Q6XQN6 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ BAZ2B Q9UIF8 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ MC4R P32245 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ POLB P06746 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ GAA P10253 2/20 0.33

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
SCHEMBL6607964 0.80 KDM4E (0.40) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL14906735 0.76 NPC1 (0.47) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL28715792 0.74 ALDH1A1 (0.48) KDM4ENAPRTSMN1; SMN2KMT2ARAB9A
SCHEMBL31039494 0.73 — —
SCHEMBL3504579 0.73 — —
SCHEMBL29739387 0.70 KDM4E (0.47) KDM4ETSHRADORA3RAB9ANPC1
SCHEMBL29177201 0.70 KDM4E (0.47) KDM4ETSHRADORA3RAB9ANPC1
SCHEMBL12256865 0.70 — —
SCHEMBL21254106 0.69 KDM4E (0.48) KDM4ENAPRTHCAR2TSHRBAZ2B
SCHEMBL21437628 0.69 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 — — US disclosed
EP-1765789-B1 N-(1-(1-BENZYL-4-PHENYL-1H-IMIDAZOL-2-YL)-2,2-DIMETHYLPROPYL)BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS KINESIN SPINDLE PROTEIN (KSP) INHIBITORS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2013-02-27 — — EP disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 — — US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 — — US disclosed
US-8318791-B2 Substituted imidazole derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-11-27 — — US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-20090258016-A1 Substituted imidazole derivatives WANG WEIBO 2009-10-15 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — US disclosed
US-7576221-B2 N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-4-phenyl-1H-imidazol-2-yl)-2-methylpropyl]-4-methylbenzamide; kinesin-related proteins (KRP) inhibitors; anticarcinogenic agent NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-08-18 — — 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-20090258016-A1 Substituted imidazole derivatives ABCG2, CYP2C19, AADAC KDM4E 2042/4885NAPRT 290/4885HCAR2 430/4885
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC KDM4E 2042/4885NAPRT 290/4885HCAR2 430/4885

“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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