SCHEMBL2961077

SCHEMBL2961077

Nc1cccc(C2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.54
NPC1 O15118 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
MGLL Q99685 2/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR3 P51677 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
PARP10 Q53GL7 2/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AVPR1A P37288 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4615095 0.80 NPC1 (0.45) SPRNPC1MGLLCA12CA1
SCHEMBL4603615 0.80 HRH1 (0.51) SPRNPC1GLAHPGDMGLL
SCHEMBL2651932 0.79 QDPR (0.60) PARP10KDM4E
SCHEMBL13198827 0.75 NPC1 (0.67) SPRNPC1GLAHPGDMGLL
SCHEMBL28218450 0.75 RAB9A (0.49) SPRNPC1HPGDKMT2APARP10
SCHEMBL7311576 0.74 RAB9A (0.69) SPRNPC1GLAHPGDMGLL
SCHEMBL2951323 0.74 NPC1 (0.52) NPC1GLAHPGDMGLLMEN1
SCHEMBL3531340 0.74 TLR9 (0.47)
SCHEMBL30376009 0.73 GPR119 (0.54) MEN1KMT2AKDM4E
SCHEMBL835855 0.73 GPR119 (0.54) MEN1KMT2AKDM4E

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-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-7767674-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2010-08-03 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
US-20080306068-A1 Suppression cytokines, tumor necrosis factor ELI LILLY AND COMPANY (US) 2008-12-11 US disclosed
EP-1761520-B1 KINASE INHIBITORS LILLY CO ELI (US) 2008-07-09 EP disclosed
EP-1761520-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
WO-2006009741-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-26 WO disclosed
EP-1609789-A1 UREIDO-PYRAZOLE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-12-28 EP 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-20080306068-A1 Suppression cytokines, tumor necrosis factor TNF, TNFRSF1A, IL2 SPR 2619/4885NPC1 3855/4885GLA 2495/4885

“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.