SCHEMBL571937

SCHEMBL571937

CC(C)NC(=O)C1CCC(Nc2cc(CN3CCCCC3)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.48
MAPT P10636 5/20 0.48
ALK Q9UM73 2/20 0.46
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
ACKR3 P25106 3/20 0.42
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
DCTPP1 Q9H773 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL10270824 1.00 MAPK1 (0.48) MAPK1MAPTALKPKMRAB9A
SCHEMBL572397 0.89 ALK (0.49) MAPK1ALK
SCHEMBL573330 0.89 ALK (0.49) MAPK1ALK
SCHEMBL572617 0.86 MAPT (0.46) MAPK1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL572616 0.86 MAPT (0.46) MAPK1MAPTCYP2C19CYP1A2CYP2C9
SCHEMBL572453 0.84 ALK (0.48) ALKACKR3CYP2C19SMN1; SMN2
SCHEMBL15192190 0.84 ALK (0.48) ALKACKR3CYP2C19SMN1; SMN2
SCHEMBL15192492 0.83 KDM4E (0.55) MAPK1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL572496 0.83 KDM4E (0.55) MAPK1MAPTRAB9AHTTSMN1; SMN2
SCHEMBL573161 0.81 MAPK1 (0.45) MAPK1MAPTPKMRAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 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 (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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 MAPK1 156/4885MAPT 3852/4885ALK 8/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 MAPK1 156/4885MAPT 3852/4885ALK 8/4885

“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.