SCHEMBL2955005

SCHEMBL2955005

CC(=O)NN1CSc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 3/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.39
NOTUM Q6P988 2/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARG P37231 1/20 0.38
RAB9A P51151 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL8868709 0.69 MAPT (0.42) HSD17B3MEN1KMT2ALMNANOTUM
SCHEMBL2955006 0.68 LMNA (0.42) HSD17B3MEN1KMT2ALMNANPSR1
SCHEMBL10353391 0.66 LMNA (0.57) HSD17B3MEN1KMT2ALMNANOTUM
SCHEMBL3230336 0.64 BCHE (0.43) HSD17B3LMNANOTUMKDM4EALDH1A1
SCHEMBL10808494 0.63 LMNA (0.61) HSD17B3MEN1KMT2ALMNAMAPK1
SCHEMBL12472754 0.62 NOTUM (0.46) HSD17B3MEN1KMT2ALMNANOTUM
SCHEMBL28980321 0.62 OXER1 (0.43) KMT2AKDM4EPPARGRAB9AALDH1A1
SCHEMBL9726116 0.61 DRD4 (0.50) HSD17B3MEN1KMT2ALMNANOTUM
SCHEMBL9943201 0.60 LMNA (0.36) HSD17B3MEN1KMT2ALMNANPSR1
SCHEMBL10353039 0.60 NOTUM (0.61) HSD17B3MEN1KMT2ALMNANOTUM

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 HSD17B3 3552/4885MEN1 3194/4885KMT2A 1219/4885
US-20070213387-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK HSD17B3 3552/4885MEN1 3194/4885KMT2A 1219/4885
US-20040054180-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK HSD17B3 3552/4885MEN1 3194/4885KMT2A 1219/4885
US-20070213386-A1 Substituted pyrrolines as kinase inhibitors PRKDC, MAP2K2, TTK HSD17B3 3552/4885MEN1 3194/4885KMT2A 1219/4885

“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.