Sugi Predict

Sugi Predict / Compounds / SCHEMBL1909360

SCHEMBL1909360

SCHEMBL1909360

CN(C)CCOc1ccc(Br)cc1C#N

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ AAK1 Q2M2I8 2/20 0.42
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ EGLN2 Q96KS0 1/20 0.38
▸ NPY1R P25929 1/20 0.38

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
SCHEMBL7928285 0.83 HPGD (0.51) KDM4EALDH1A1LMNAMAOAMAOB
SCHEMBL6052479 0.82 KDM4E (0.57) HTR7KDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL4456952 0.81 HPGD (0.56) ALDH1A1LMNAMAOAMAOBAAK1
SCHEMBL430108 0.81 EGFR (0.47) KDM4EALDH1A1MAOAMAOBAAK1
SCHEMBL27404855 0.80 ALDH1A1 (0.62) ALDH1A1HPGD
SCHEMBL14820084 0.80 MAOB (0.45) KDM4EALDH1A1MAOAMAOBAAK1
SCHEMBL392560 0.79 MAOB (0.47) ALDH1A1LMNAMAOAMAOBAAK1
SCHEMBL2465179 0.79 ALDH1A1 (0.64) ALDH1A1HPGD
SCHEMBL19648612 0.79 MAOB (0.46) KDM4EALDH1A1LMNAMAOAMAOB
SCHEMBL3591833 0.79 AAK1 (0.47) ALDH1A1MAOAMAOBAAK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-20120022030-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2012-01-26 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-7838674-B2 2-(1-amino-cyclobutylmethyl)-8-(4-methoxy-phenyl)-4,5-dihydro-1 H-1,7,9-triazacyclopenta[a]naph-thalene-3-carboxylic acid lactame; useful especially as inhibitors of mitogen-activated protein kinase-activated protein kinase-2 (MK2 or MAPKAP kinase-2 NOVARTIS AG (CH) 2010-11-23 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
US-20090098218-A1 Tetracyclic Lactame Derivatives NOVARTIS AG 2009-04-16 — — US disclosed
WO-2009010488-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MK2 INHIBITORS NOVARTIS AG (CH) 2009-01-22 — — WO 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-20120022030-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 HTR7 4701/4885KDM4E 1966/4885ALDH1A1 3295/4885
US-20090098218-A1 Tetracyclic Lactame Derivatives TNF, RPS6KB2, RPS6KA2 HTR7 4701/4885KDM4E 1966/4885ALDH1A1 3295/4885

“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.