SCHEMBL1259299

SCHEMBL1259299

NC(=O)[N]Cc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
PARP10 Q53GL7 1/20 0.47
PTPRA P18433 1/20 0.46
HRH1 P35367 1/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
FDPS P14324 1/20 0.45
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 1/20 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
SCHEMBL3910519 0.77 HRH4 (0.62) SMN1; SMN2PARP10HRH1LMNATDP1
Hydrochloric Acid SCHEMBL538727 0.76 GRIN2D (0.63) SMN1; SMN2HRH1LMNATDP1
SCHEMBL1043027 0.75 HRH1 (0.54) SMN1; SMN2HRH1LMNACYP1A2ALDH1A1
Pyridine Acetamide SCHEMBL29431271 0.75 RAB9A (0.54) SMN1; SMN2PARP10PTPRAHRH1POLB
Pyridine Acetamide SCHEMBL176893 0.75 RAB9A (0.54) SMN1; SMN2PARP10PTPRAHRH1POLB
SCHEMBL1166481 0.74
SCHEMBL21985094 0.73 HRH1 (0.52) SMN1; SMN2HRH1LMNACYP1A2ALDH1A1
Pyridine Acetamide SCHEMBL5709841 0.73 RAB9A (0.53) SMN1; SMN2PARP10PTPRAHRH1POLB
Pyridine Acetamide SCHEMBL3723681 0.73 RAB9A (0.53) SMN1; SMN2PARP10PTPRAHRH1POLB
Pyridine Acetamide SCHEMBL7432558 0.73 RAB9A (0.53) SMN1; SMN2PARP10PTPRAHRH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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 (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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 SMN1; SMN2 459/4885PARP10 333/4885PTPRA 3675/4885
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 SMN1; SMN2 4351/4885PARP10 1271/4885PTPRA 998/4885
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX SMN1; SMN2 2466/4885PARP10 3651/4885PTPRA 3996/4885

“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.