SCHEMBL19737559

SCHEMBL19737559

Nc1c(C=O)ccc2nc(-c3cccnc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
PTK2 Q05397 1/20 0.48
NPC1 O15118 4/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
ERN1 O75460 3/20 0.43
CYP19A1 P11511 3/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP2A6 P11509 2/20 0.42

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
SCHEMBL19737558 0.79 RAB9A (0.42) NPC1KMT2AMAPTMEN1RXFP1
SCHEMBL22589190 0.73 PARP1 (0.48) LIMK1HSP90AA1NPC1KMT2AMAPT
SCHEMBL19737563 0.72 TTK (0.49) HSP90AA1HSP90AB1PTK2NPC1KMT2A
SCHEMBL28623786 0.72 NPC1 (0.52) HSP90AA1HSP90AB1PTK2NPC1ERN1
SCHEMBL21088649 0.72 MEN1 (0.46) LIMK1NPC1KMT2AMAPTMEN1
SCHEMBL28362190 0.71 ERN1 (0.47) HSP90AA1HSP90AB1PTK2NPC1ERN1
SCHEMBL19737710 0.71 GBA1 (0.41) LIMK1NPC1KMT2AMAPTMEN1
SCHEMBL14012886 0.70 ERN1 (0.51) ERN1KDM4ECYP2A6CYP3A4CYP2C9
SCHEMBL14884092 0.70 NPC1 (0.59) LIMK1HSP90AA1HSP90AB1PTK2NPC1
SCHEMBL2456594 0.70 KMT2A (0.63) HSP90AA1HSP90AB1NPC1KMT2AMAPT

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-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof THE UNIVERSITY OF TOKYO (JP) 2020-06-23 US disclosed
US-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof THE UNIVERSITY OF TOKYO (JP) 2020-06-23 US disclosed
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2019-06-13 US disclosed
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF THE UNIVERSITY OF TOKYO (JP) 2019-06-13 US disclosed
WO-2017217439-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF 国立大学法人東京大学 2017-12-21 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-10689394-B2 Thieno[2,3-b]pyridine derivative, quinoline derivative, and use thereof BRD4, DRD4, TH LIMK1 4598/4885HSP90AA1 3309/4885HSP90AB1 2807/4885
US-20190177336-A1 THIENO[2,3-b]PYRIDINE DERIVATIVE AND QUINOLINE DERIVATIVE, AND USE THEREOF DERL1, UBQLN1, ADRM1 LIMK1 3789/4885HSP90AA1 1146/4885HSP90AB1 680/4885

“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.