SCHEMBL2616315

SCHEMBL2616315

Cc1nc2c(s1)CCN(C)c1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.36
POLB P06746 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
ATP4A P20648 1/20 0.32
ATP4B P51164 1/20 0.32
CHEK1 O14757 1/20 0.32
DAPK3 O43293 1/20 0.32
LTK P29376 1/20 0.32
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL1495958 0.78 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1NPC1LMNA
SCHEMBL8556725 0.77 AVPR2 (0.48) SMN1; SMN2KMT2AMEN1NPC1LMNA
SCHEMBL24384812 0.77 GABRG2 (0.42) POLBGABRG2GABRB3GABRA5SMN1; SMN2
SCHEMBL10076399 0.73 ADORA1 (0.64) ADORA1POLBATP4AATP4BCHEK1
SCHEMBL17339841 0.72 CHEK1 (0.47) ADORA1POLBCHEK1DAPK3LTK
SCHEMBL12177816 0.71 ADORA1 (0.53) ADORA1POLBATP4AATP4BCHEK1
SCHEMBL14432510 0.70 NPY5R (0.50) ADORA1POLBPIK3CDPIK3CAPIK3CB
SCHEMBL2129812 0.69 SLC22A12 (0.46) SMN1; SMN2KMT2AMEN1NPC1LMNA
SCHEMBL1496040 0.69 BCHE (0.44) ADORA1POLBPIK3CDPIK3CAPIK3CB
SCHEMBL12798139 0.68 CHEK1 (0.65) ADORA1POLBCHEK1DAPK3LTK

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
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 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 (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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B ADORA1 230/4885POLB 3509/4885PIK3CD 2747/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B ADORA1 230/4885POLB 3509/4885PIK3CD 2747/4885

“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.