SCHEMBL1880690

SCHEMBL1880690

CN(C)CCc1ccc(Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
SMN1; SMN2 Q16637 5/20 0.60
TDP1 Q9NUW8 3/20 0.60
VCP P55072 1/20 0.60
ESR1 P03372 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 6/20 0.59
HTT P42858 4/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MAPK1 P28482 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
CLK1 P49759 1/20 0.52
TP53 P04637 1/20 0.51
AMY1A P0DUB6 2/20 0.50

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
SCHEMBL17539299 0.85 SMN1; SMN2 (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL17539700 0.84 MAPT (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1881259 0.83 VCP (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1887643 0.82 MAPT (0.60) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL17545668 0.81 MAPT (0.50) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL12297398 0.80 MAPT (0.74) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL15587797 0.79 ALOX5 (0.55) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL1886814 0.78 RAB9A (1.00) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL17539298 0.78 RAB9A (0.66) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL19451091 0.78 RAB9A (0.66) MAPTRAB9ANPC1MEN1KMT2A

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 MAPT 2506/4885RAB9A 508/4885NPC1 53/4885

“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.