SCHEMBL14965474

SCHEMBL14965474

c1ccc(-c2ncc3ccsc3n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RECQL P46063 1/20 0.42
PDPK1 O15530 1/20 0.41
KMT2A Q03164 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
GGPS1 O95749 1/20 0.40
FDPS P14324 1/20 0.40
HPGDS O60760 4/20 0.40
CASP3 P42574 1/20 0.37

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
SCHEMBL28220655 0.84 GGPS1 (0.41) ADORA2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6428954 0.76 GGPS1 (0.58) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL11740087 0.74 NPC1 (0.45) ADORA2ANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL4825949 0.73 NPC1 (0.49) ADORA2ANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL11845974 0.73 GGPS1 (0.44) ADORA2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30341183 0.71 NPC1 (0.47) ADORA2ANPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL20138480 0.69 HTR2C (0.44) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16685612 0.69 ADORA2A (0.68) ADORA2ASMN1; SMN2KMT2AGGPS1FDPS
SCHEMBL743402 0.68 MAPK1 (0.39) SMN1; SMN2MAPTKMT2A
SCHEMBL18671569 0.68 NTRK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2016-06-02 US disclosed
US-9290511-B2 Thieno-pyrimidines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2016-03-22 US disclosed
US-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors XENTION LIMITED (GB) 2014-12-18 US disclosed
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 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-20140371203-A1 Thieno- and furo - pyrimidines and pyridines, useful as potassium channel inhibitors KCNA3, KCNJ1, KCNJ11 ADORA2A 556/4885NPC1 1932/4885RAB9A 2100/4885
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 ADORA2A 1054/4885NPC1 2739/4885RAB9A 960/4885
US-20160152634-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS KCNA3, KCNJ1, KCNJ11 ADORA2A 677/4885NPC1 1758/4885RAB9A 2205/4885

“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.