SCHEMBL2281397

SCHEMBL2281397

O=C(O)c1nccn(Cc2ccccc2)c1=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.58
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 1/20 0.51
MAPK14 Q16539 1/20 0.48
BRD4 O60885 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
FDPS P14324 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
NOTUM Q6P988 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2285307 0.84 HSP90AA1 (0.52) EGLN1GAAALDH1A1MAPK14BRD4
SCHEMBL12376643 0.81 MEN1 (0.61) EGLN1ALDH1A1BRD4SMN1; SMN2KDM4E
SCHEMBL2408377 0.80 PDPK1 (0.42) EGLN1TSHRALDH1A1MAPTRAB9A
SCHEMBL27757204 0.79 ALDH1A1 (0.49) EGLN1ALDH1A1MAPK14BRD4SMN1; SMN2
SCHEMBL418384 0.79 RAB9A (0.57) GAAPKMTSHRALDH1A1SMN1; SMN2
SCHEMBL7830086 0.78 MAPK14 (0.52) EGLN1ALDH1A1MAPK14BRD4SMN1; SMN2
SCHEMBL27757203 0.76 ALDH1A1 (0.46) EGLN1ALDH1A1MAPK14BRD4SMN1; SMN2
SCHEMBL14302377 0.74 RAB9A (0.52) GAAPKMTSHRALDH1A1SMN1; SMN2
SCHEMBL12502415 0.74 EGLN1 (1.00) EGLN1
SCHEMBL4851345 0.73 HSP90AA1 (0.56) ALDH1A1HTTFDPSMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
CN-101528702-A Quinoline compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-09-09 CN disclosed
CN-101522687-A Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA INC (US) 2009-09-02 CN disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
EP-1989211-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER Array Biopharma, Inc. (US) 2008-11-12 EP disclosed
WO-2008063202-A2 HETEROBICYCLIC THIOPHENE COMPOUNDS FOR THE TREATMENT OF CANCER ARRAY BIOPHARMA INC. (US) 2008-05-29 WO disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 WO disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 WO disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (4 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC EGLN1 3469/4885GAA 1103/4885PKM 1724/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 EGLN1 3987/4885GAA 2295/4885PKM 421/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 EGLN1 3987/4885GAA 2295/4885PKM 421/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 EGLN1 3923/4885GAA 1099/4885PKM 1019/4885

“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.