SCHEMBL2953261

SCHEMBL2953261

[N]c1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
IMPDH2 P12268 2/20 0.56
IMPDH1 P20839 1/20 0.56
GPR84 Q9NQS5 3/20 0.54
MEN1 O00255 2/20 0.54
CYP3A4 P08684 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 1/20 0.54
AHR P35869 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP2A6 P11509 2/20 0.50
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL17376037 0.77 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL1202543 0.76 IMPDH2 (0.63) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL2012509 0.74 ATM (0.56) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL4417668 0.72 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL155191 0.72 MEN1 (0.58) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL399039 0.72 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL275615 0.72 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL154499 0.72 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL13948935 0.72 ATM (0.54) ATMIMPDH2IMPDH1GPR84MEN1
SCHEMBL9775725 0.72 ATM (0.60) ATMIMPDH2IMPDH1GPR84MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS ZHANG HAN-CHENG 2010-09-23 US disclosed
US-7759380-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2010-07-20 US disclosed
US-7608634-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-10-27 US disclosed
EP-1513520-B1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2008-09-24 EP disclosed
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors ZHANG HAN-CHENG 2007-09-13 US disclosed
US-7232906-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BG) 2007-06-19 US disclosed
US-6987110-B2 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-17 US disclosed
EP-1513520-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
EP-1513830-A1 BISINDOLYL-MALEIMID DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-20040059113-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-25 US disclosed
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-18 US disclosed
WO-2003104222-A1 BISINDOLYL-MALEIMID DERIVATIVES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 WO disclosed
WO-2003103663-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-12-18 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 (5 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-20100240650-A1 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS PRKDC, MAP2K2, TTK ATM 435/4885IMPDH2 951/4885IMPDH1 917/4885
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ATM 435/4885IMPDH2 951/4885IMPDH1 917/4885
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ATM 435/4885IMPDH2 951/4885IMPDH1 917/4885
US-20040059113-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ATM 435/4885IMPDH2 951/4885IMPDH1 917/4885
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK ATM 435/4885IMPDH2 951/4885IMPDH1 917/4885

“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.