SCHEMBL1306357

SCHEMBL1306357

CN(C)CCN1CCN(CC#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
PKM P14618 1/20 0.43
POLB P06746 2/20 0.39
PIM1 P11309 1/20 0.35
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ACKR3 P25106 1/20 0.31
JAK2 O60674 1/20 0.30

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
SCHEMBL2231151 0.82 PIM1 (0.42) ALDH1A1PIM1ALOX15MAPTKDM4E
SCHEMBL1186740 0.82
SCHEMBL11501758 0.79 ALDH1A1 (0.57) ALDH1A1PKMPOLBALOX15MAPT
SCHEMBL4011234 0.79 PIM1 (0.35) PIM1ALOX15ACKR3
SCHEMBL7137154 0.76 ALDH1A1 (0.50) ALDH1A1PKMPOLBMAPTLMNA
SCHEMBL11701515 0.76
SCHEMBL2576487 0.76 ALDH1A1 (0.50) ALDH1A1PKMPOLBMAPTLMNA
SCHEMBL13520193 0.76 ALDH1A1 (0.48) ALDH1A1PKMPOLBMAPTLMNA
SCHEMBL154492 0.75 ALDH1A1 (0.46) ALDH1A1PKMPOLBMAPTLMNA
SCHEMBL14142584 0.75 PIM1 (0.39) ALDH1A1PIM1MAPTKDM4ELMNA

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-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 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 (1 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-20100125064-A1 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases MDM4, TP53, MDM2 ALDH1A1 2589/4885PKM 1672/4885POLB 2640/4885

“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.