SCHEMBL3090839

SCHEMBL3090839

CCc1nc2ccccn2c(=O)c1Br

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTR6 P50406 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
ENPP2 Q13822 1/20 0.43

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
Bromide SCHEMBL3957044 0.98 KDM4E (0.50) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL3955368 0.88 MAPT (0.52) KDM4EALDH1A1MAPTGLAGAA
Bromide SCHEMBL5132009 0.87 MAPT (0.51) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL3959035 0.85 MAPT (0.60) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL890574 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL890546 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL14627843 0.83 MAPT (0.52) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL2715301 0.82 MAPT (0.46) KDM4EALDH1A1MAPTGLAGAA
SCHEMBL3959722 0.81 POLB (0.47) KDM4EALDH1A1MAPTGLAGAA
Bromide SCHEMBL3958091 0.81 MAPT (0.43) KDM4EALDH1A1MAPTGLAGAA

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-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
US-7799795-B2 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. (US) 2010-09-21 US disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
EP-1917250-B1 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC (US) 2010-07-21 EP disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
US-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders AMGEN INC. 2007-01-18 US disclosed
WO-2007002701-A2 ANTI-INFLAMMATORY ARYL NITRILE COMPOUNDS AMGEN INC. (US) 2007-01-04 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-20070015773-A1 Aryl nitrile compounds and compositions and their uses in treating inflammatory and related disorders CCR1, MSR1, CCR2 KDM4E 3102/4885ALDH1A1 742/4885MAPT 3387/4885

“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.