SCHEMBL1019858

SCHEMBL1019858

Brc1ccc(-c2cnsn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.44
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
NPC1 O15118 6/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
LTA4H P09960 1/20 0.37
MAPK1 P28482 2/20 0.36
GAA P10253 3/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL19900526 0.89
SCHEMBL9324607 0.78 METAP2 (0.44) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL4017134 0.78 METAP2 (0.44) METAP2
SCHEMBL3173313 0.78 KMT2A (0.44) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3274376 0.78 TRPA1 (0.33) METAP2ALDH1A1
SCHEMBL4559345 0.77 KMT2A (0.42) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2727083 0.76 IDO1 (0.50) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3140312 0.74
SCHEMBL9429579 0.69
SCHEMBL19933562 0.69 METAP2 (0.52) METAP2RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8343382-B2 Band gap control in conjugated oligomers and polymers via Lewis acids THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-01-01 US disclosed
US-20110028656-A1 Band gap control in conjugated oligomers and polymers via Lewis acids NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-02-03 US disclosed
EP-2271649-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF Wyeth LLC (US) 2011-01-12 EP disclosed
US-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof WYETH (US) 2010-02-04 US disclosed
WO-2009111260-A1 PHENYLSULFONAMIDE-SUBSTITUTED, PYRAZOLO[1, 5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-11 WO disclosed
WO-2009108838-A1 BRIDGED, BICYCLIC HETEROCYCLIC OR SPIRO BICYCLIC HETEROCYCLIC DERIVATIVES OF PYRAZOLO[1,5-A]PYRIMIDINES, METHODS FOR PREPARATION AND USES THEREOF WYETH (US) 2009-09-03 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 (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-20100029657-A1 Bridged, Bicyclic Heterocyclic or Spiro Bicyclic Heterocyclic Derivatives of Pyrazolo[1, 5-A]Pyrimidines, Methods for Preparation and Uses Thereof BRAF, RAF1, ARAF METAP2 4210/4885RAB9A 595/4885SMN1; SMN2 4044/4885
US-20110028656-A1 Band gap control in conjugated oligomers and polymers via Lewis acids PCNA, CLTB, GJB2 METAP2 3602/4885RAB9A 100/4885SMN1; SMN2 4754/4885

“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.