SCHEMBL1889024

SCHEMBL1889024

Fc1ccc(Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
NPC1 O15118 4/20 1.00
TDP1 Q9NUW8 2/20 1.00
POLB P06746 1/20 1.00
ALOX5 P09917 3/20 0.74
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
NPY5R Q15761 1/20 0.73
VCP P55072 1/20 0.73
ESR1 P03372 1/20 0.73
ALDH1A1 P00352 3/20 0.71
HTT P42858 3/20 0.71
LMNA P02545 2/20 0.71
GAA P10253 2/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ROCK1 Q13464 1/20 0.67
MAPK1 P28482 3/20 0.65
CYP1A1 P04798 2/20 0.63

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
SCHEMBL6926815 0.92 ALOX5 (0.85) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL1820221 0.88 NPY5R (0.88) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL24997146 0.86 MAPT (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL31126428 0.85 ALOX5 (0.78) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL12297865 0.85 ALOX5 (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL31126461 0.85 ALOX5 (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL838274 0.85 ALOX5 (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL1888054 0.85 ALOX5 (0.78) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL18083871 0.85 MAPT (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1
SCHEMBL2755675 0.85 ALOX5 (0.74) MAPTRAB9ASMN1; SMN2NPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974795-B2 Anticancer agent composition CARNA BIOSCIENCES, INC. (JP) 2018-05-22 US claimed
US-20170065609-A1 ANTICANCER AGENT COMPOSITION CARNA BIOSCIENCES, INC. (JP) 2017-03-09 US claimed
EP-3100742-A1 ANTICANCER AGENT COMPOSITION Carna Biosciences Inc. (JP) 2016-12-07 EP claimed
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US claimed
EP-1135126-A4 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-04-02 EP claimed
EP-1135126-A2 MYT1 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2001-09-26 EP claimed
WO-2000033837-A2 MYT1 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-15 WO claimed
EP-3100742-B1 ANTICANCER AGENT COMPOSITION COMPRISING A CDC7 INHIBITOR AND A WEE1 INHIBITOR CARNA BIOSCIENCES INC (JP) 2020-05-20 EP disclosed
US-9974795-B2 Anticancer agent composition CARNA BIOSCIENCES, INC. (JP) 2018-05-22 US disclosed
US-20170065609-A1 ANTICANCER AGENT COMPOSITION CARNA BIOSCIENCES, INC. (JP) 2017-03-09 US disclosed
EP-3100742-A1 ANTICANCER AGENT COMPOSITION Carna Biosciences Inc. (JP) 2016-12-07 EP 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
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 (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-20170065609-A1 ANTICANCER AGENT COMPOSITION CDC7, CDC16, MCM7 MAPT 3662/4885RAB9A 3325/4885SMN1; SMN2 3548/4885
US-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 MAPT 2506/4885RAB9A 508/4885SMN1; SMN2 2531/4885

“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.