SCHEMBL77454

SCHEMBL77454

CC(C)(C)c1csc(NC(=O)Oc2ccccc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.65
RAB9A P51151 8/20 0.65
KMT2A Q03164 7/20 0.65
MEN1 O00255 6/20 0.65
ALDH1A1 P00352 4/20 0.65
MAPK1 P28482 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
POLB P06746 2/20 0.65
LMNA P02545 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.56
PKM P14618 1/20 0.56
CCR4 P51679 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54

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
SCHEMBL77735 0.89 KMT2A (0.57) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL77635 0.88 KMT2A (0.70) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL78768 0.86 FFAR2 (0.60) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL3791723 0.86 KMT2A (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL29310903 0.83 MEN1 (0.54) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL23966912 0.82 CCNE1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL10078938 0.82 KMT2A (0.65) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL146652 0.81 NPC1 (0.64) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL27183969 0.80 KMT2A (0.53) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL77592 0.80 SMN1; SMN2 (0.77) NPC1RAB9AKMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
US-20230203045-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. 2023-06-29 US disclosed
EP-4161933-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2023-04-12 EP disclosed
WO-2021252488-A1 INHIBITORS OF NEK7 KINASE Halia Therapeutics, Inc. (US) 2021-12-16 WO disclosed
EP-1812433-B1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER REC TECH LTD (GB) 2015-07-22 EP disclosed
US-8129415-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2012-03-06 US disclosed
US-7625922-B2 Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-01 US disclosed
US-7625922-B2 Imidazo[4,5-b]pyridin-2-one and oxazolo[4,5-b]pyridin-2-one compounds and analogs thereof as therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-01 US disclosed
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2009-07-30 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-12-13 US disclosed
EP-1812433-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS Cancer Research Technology Limited (GB) 2007-08-01 EP disclosed
WO-2006043090-A1 IMIDAZO[4,5-B]PYRIDIN-2-ONE AND OXAZOLO[4,5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-04-27 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 (3 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-20230203045-A1 INHIBITORS OF NEK7 KINASE NEK7, NEK1, NEK5 NPC1 377/4885RAB9A 3215/4885KMT2A 2881/4885
US-20090192196-A1 Fungicide hydroximoyl-tetrazole derivatives HAAO, HAO1, CYP51A1 NPC1 3856/4885RAB9A 3465/4885KMT2A 609/4885
US-20070287838-A1 Imidazo[4,5-B]Pyridin-2-One and Oxazolo[4,5-B]Pyridin-2-One Compounds and Analogs Thereof as Therapeutic Compounds NR2E1, NR0B1, BRAF NPC1 2717/4885RAB9A 2617/4885KMT2A 2007/4885

“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.