SCHEMBL2955006

SCHEMBL2955006

NC(=O)CN1CSc2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
HSD17B3 P37058 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CHRM5 P08912 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2D6 P10635 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL6935721 0.78 MAPT (0.43) LMNAHSD17B3MAPTKMT2AMEN1
SCHEMBL11557617 0.78 LMNA (0.38) LMNAHSD17B3MAPTKMT2AMEN1
Bromide SCHEMBL2954210 0.77 MAPT (0.42) LMNAHSD17B3MAPTKMT2AMEN1
Bromide SCHEMBL27876873 0.77 MAPT (0.42) LMNAHSD17B3MAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL27306778 0.77 MAPT (0.42) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL11555121 0.77 LMNA (0.35) LMNAHSD17B3MAPTKMT2AMEN1
SCHEMBL27843501 0.73 MEN1 (0.56) LMNAHSD17B3MAPTKMT2AMEN1
SCHEMBL8868709 0.72 MAPT (0.42) LMNAHSD17B3MAPTKMT2AMEN1
SCHEMBL16765743 0.70 HTT (0.50) LMNAHSD17B3MAPTKMT2AMEN1
SCHEMBL27509200 0.70 MEN1 (0.49) LMNAMAPTKMT2AMEN1HTT

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 10 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
EP-1513520-A2 SUBSTITUTED PYRROLINES AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-03-16 EP disclosed
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2004-03-18 US 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 (4 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 LMNA 3752/4885HSD17B3 3552/4885MAPT 2315/4885
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK LMNA 3752/4885HSD17B3 3552/4885MAPT 2315/4885
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK LMNA 3752/4885HSD17B3 3552/4885MAPT 2315/4885
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK LMNA 3752/4885HSD17B3 3552/4885MAPT 2315/4885

“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.