SCHEMBL949287

SCHEMBL949287

[CH](c1ccccc1)c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KDM4E B2RXH2 3/20 0.41
NFKB1 P19838 2/20 0.41
TP53 P04637 2/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
STAT1 P42224 1/20 0.41
GRM5 P41594 1/20 0.40
LMNA P02545 4/20 0.38
HSD17B10 Q99714 3/20 0.38
HPGD P15428 3/20 0.38
TRPA1 O75762 1/20 0.38
GAA P10253 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35

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
SCHEMBL2283315 0.82 RIOK2 (0.50) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL2283312 0.82 RIOK2 (0.50) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL28351134 0.77 LMNA (0.54) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL28351133 0.77 LMNA (0.54) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7897474 0.72 ALDH1A1 (0.50) PDPK1SMN1; SMN2NPC1RAB9ARIOK2
SCHEMBL9136327 0.71 PDPK1 (0.41) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL6657643 0.71 PDPK1 (0.46) PDPK1SMN1; SMN2KDM4ERIOK2GRM5
SCHEMBL28165223 0.71 KMT2A (0.42) PDPK1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL21219440 0.70
Benzene SCHEMBL28134422 0.70 PDPK1 (0.39) PDPK1SMN1; SMN2KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1976922-B 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
US-7989446-B2 4-amino 5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-02 US disclosed
US-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. 2011-01-13 US disclosed
US-7834002-B2 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-07-31 US disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
EP-1740574-B1 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2007-06-27 EP disclosed
CN-1976922-A 4-amino-5-cyanopyrimidine derivatives OTSUKA PHARMA CO LTD (JP) 2007-06-06 CN disclosed
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed
EP-0050927-B1 THE PREPARATION OF BETA-LACTAM ANTIBIOTICS BEECHAM GROUP PLC (GB) 1985-03-27 EP disclosed
US-4473578-A ACID, ESTER OR SALT DERIVATIVES OF MERCAPTO CARBAPENEMS BEECHAM GROUP LIMITED (GB) 1984-09-25 US disclosed
US-4438036-A β-Lactam antibiotics their preparation and their use BEECHAM GROUP LIMITED (GB) 1984-03-20 US disclosed
EP-0059554-A2 Beta-lactam antibiotics, a process for their preparation and their use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1982-09-08 EP disclosed
EP-0055990-A1 Beta-lactam antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1982-07-14 EP disclosed
EP-0050927-A1 The preparation of beta-lactam antibiotics BEECHAM GROUP PLC (GB) 1982-05-05 EP disclosed
EP-0024832-A1 Beta-lactam antibiotics, their preparation, pharmaceutical compositions containing them and their preparation BEECHAM GROUP PLC (GB) 1981-03-11 EP 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-20110009620-A1 4-Amino-5-cyanopyrimidine derivatives ADORA2A, ADORA1, ADORA3 PDPK1 1213/4885SMN1; SMN2 4598/4885KMT2A 3410/4885
US-20080182854-A1 4-Amino-5-Cyanopyrimidine Derivatives ADORA2A, ADORA1, ADORA3 PDPK1 1213/4885SMN1; SMN2 4598/4885KMT2A 3410/4885

“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.