SCHEMBL1389421

SCHEMBL1389421

Nc1nc(Cl)nc2c1ncn2-n1cnc2c(N)nc(Cl)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.68
CFTR P13569 1/20 0.50
ADORA3 P0DMS8 9/20 0.49
ADORA2A P29274 5/20 0.49
ADORA1 P30542 4/20 0.49
PDE8A O60658 3/20 0.49
PDE4D Q08499 2/20 0.44
PDE3A Q14432 2/20 0.44
PNP P00491 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HSP90AA1 P07900 2/20 0.43
HSP90B1 P14625 2/20 0.43
PDE2A O00408 1/20 0.43
ADRA1A P35348 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL17040220 0.82 CDK1 (0.66) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL129921 0.81 CDK1 (1.00) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL22700335 0.81 CDK1 (0.64) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL27983442 0.79 CDK1 (0.59) CDK1ADORA2AADORA1HSP90AA1HSP90B1
SCHEMBL23619320 0.78 CDK1 (0.60) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL15789757 0.78 CDK1 (0.50) CDK1HSP90AA1
SCHEMBL12702726 0.77 CDK1 (0.63) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL22700151 0.77 CDK1 (0.63) CDK1CFTRADORA3ADORA2AADORA1
SCHEMBL3441256 0.77 CDK2 (0.71) CDK1ADORA3ADORA2AADORA1PDE8A
SCHEMBL27635727 0.77 CDK1 (0.58) CDK1CFTRADORA3ADORA2AADORA1

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-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine SCINOPHARM TAIWAN LTD. 2012-01-12 US disclosed
EP-2404926-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-beta-D-arabinofuranosyl)-adenine ScinoPharm Taiwan, Ltd. (TW) 2012-01-11 EP disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
EP-1177202-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2002-02-06 EP disclosed
US-6333315-B1 FOR THERAPY OF AIDS(ACQUIRE IMMUNODEFICIENCY SYNDROME) YAMASA CORPORATION (JP) 2001-12-25 US disclosed
WO-2000069877-A1 4'-C-ETHYNYL PURINE NUCLEOSIDES YAMASA CORPORATION (JP) 2000-11-23 WO disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 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 (1 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-20120010397-A1 Preparation of 2-chloro-9-(2'-deoxy-2'-fluoro-Beta-D-arabinofuranosyl)-adenine HPRT1, TYMP, MTAP CDK1 1500/4885CFTR 2625/4885ADORA3 71/4885

“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.