SCHEMBL1885849

SCHEMBL1885849

Cc1cccc(Nc2nc(-c3ccncc3)c(CCCN3CCOCC3)s2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
ROCK2 O75116 3/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
PDGFRB P09619 1/20 0.43
FLT1 P17948 1/20 0.43
KDR P35968 1/20 0.43
TSHR P16473 1/20 0.43
EGFR P00533 2/20 0.43

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
SCHEMBL1881831 0.90 ROCK2 (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1882378 0.83 LMNA (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1881947 0.82 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1883173 0.80 MAPT (0.57) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1891282 0.80 MAPT (0.53) TRPV4MAPTMEN1KMT2AKDM4E
SCHEMBL1878569 0.78 MAPT (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4604631 0.77 TRPV4 (0.53) TRPV4MAPTMEN1KMT2AKDM4E
SCHEMBL12639843 0.77 MAPT (0.61) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1888458 0.77 MAPT (0.67) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1888403 0.76 MAPT (0.55) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US claimed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 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 (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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 TRPV4 4722/4885MAPT 2506/4885MEN1 3092/4885

“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.