SCHEMBL10043837

SCHEMBL10043837

Cc1cc2c(cn1)cc(-c1cc(NC(=O)NC3CCCC3)ccc1C)c(=O)n2C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
EPHX2 P34913 1/20 0.47
EPHX1 P07099 2/20 0.45
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK14 Q16539 4/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.40
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
PDGFRA P16234 1/20 0.40
MAPKAPK2 P49137 1/20 0.40

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
SCHEMBL10043832 0.99 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TSHRHTT
SCHEMBL10043862 0.87 KDM4E (0.48) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10043738 0.87 KDM4E (0.56) NPC1KDM4EHSD17B10ALDH1A1MAPK14
SCHEMBL10043701 0.87 KDM4E (0.56) NPC1KDM4EHSD17B10ALDH1A1MAPK14
SCHEMBL10043867 0.86 ABL1 (0.47) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL10043871 0.86 ABL1 (0.46) KDM4EHSD17B10ALDH1A1HPGDABL1
SCHEMBL10043963 0.85 ABL1 (0.53) KDM4EHSD17B10ALDH1A1HPGDABL1
SCHEMBL10043828 0.85 RAB9A (0.48) NPC1RAB9ASMN1; SMN2KDM4EMAPK14
SCHEMBL10043829 0.85 SYK (0.41) NPC1RAB9ATSHRRAF1ABL1
SCHEMBL10043821 0.84 SYK (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-8106068-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2012-01-31 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2010-04-01 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-7678792-B2 Compositions and methods for modulating c-kit and PDGFR receptors IRM LLC (BM) 2010-03-16 US disclosed
US-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS IRM LLC (BM) 2008-07-24 US 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 (2 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-20080176846-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC NPC1 4095/4885RAB9A 1818/4885SMN1; SMN2 2302/4885
US-20100081656-A1 COMPOSITIONS AND METHODS FOR MODULATING C-KIT AND PDGFR RECEPTORS FYN, FLT3, SRC NPC1 4095/4885RAB9A 1818/4885SMN1; SMN2 2302/4885

“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.