SCHEMBL4373722

SCHEMBL4373722

c1ncc2ncn(C3CCNC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.40
EGFR P00533 5/20 0.40
ABL1 P00519 4/20 0.39
ABL2 P42684 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LCK P06239 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33
PI4KB Q9UBF8 2/20 0.33

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
SCHEMBL19553770 0.82 ADORA2A (0.49) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL1375991 0.80 ADORA2A (0.51) JAK2JAK1ALDH1A1CYP1A2CYP3A4
SCHEMBL2951838 0.80 ADORA2A (0.51) JAK2JAK1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL6821629 0.78 ADORA2A (0.50) JAK2JAK1ALDH1A1CYP1A2CYP3A4
SCHEMBL10600446 0.78 ADORA2A (0.53) JAK2JAK1ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7659256 0.72 ABL1 (0.39) SRCEGFRABL1ABL2JAK2
Hydrochloric Acid SCHEMBL7659251 0.72 ABL1 (0.39) SRCEGFRABL1ABL2JAK2
Hydrochloric Acid SCHEMBL7659259 0.72 ABL1 (0.39) SRCEGFRABL1ABL2JAK2
Hydrochloric Acid SCHEMBL7843046 0.72 ABL1 (0.39) SRCEGFRABL1ABL2JAK2
SCHEMBL15720194 0.72 ADORA2A (0.70) SRCEGFRABL1ABL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1113020-B1 Nucleosides and oligonucleotides containing boron clusters UNIV EMORY (US) 2009-10-28 EP disclosed
US-6583122-B2 Use in boron neutron capture therapy (BNCT) and diagnostic purposes; treating cancer, viral infections such as HIV, hepatitis B virus EMORY UNIVERSITY 2003-06-24 US disclosed
US-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters DEPARTMENT OF VETERANS AFFAIRS 2002-10-31 US disclosed
EP-0731808-B1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS UNIV EMORY (US) 2001-07-11 EP disclosed
EP-1113020-A2 Nucleosides and oligonucleotides containing boron clusters EMORY UNIVERSITY (US) 2001-07-04 EP disclosed
US-6180766-B1 OLIGONUCLEOTIDE WITH UNCHARGED INTERNUCLEOTIDE LINKAGE(S) OF 3',5'-O,O-((CARBORAN-1-YL-METHYL)PHOSPHONATE); MADE BY REACTING O-METHYL(O-CARBORAN-1-YL)METHYL PHOSPHONATE WITH PROTECTED NUCLEOSIDE; USE IN BORON NEUTRON CAPTURE THERAPY DEPARTMENT OF VETERANS AFFAIRS 2001-01-30 US disclosed
US-5872107-A ANTICARCINOGENIC AGENTS CAPTURE THERAPY FOR TUMORS EMORY UNIVERSITY (US) 1999-02-16 US disclosed
EP-0788364-A4 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY UNIV EMORY (US) 1998-05-06 EP disclosed
EP-0788364-A1 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY EMORY UNIVERSITY (US) 1997-08-13 EP disclosed
EP-0731808-A4 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS UNIV EMORY (US) 1997-04-02 EP disclosed
US-5599796-A USING BORON CLUSTER-CONTAINING NUCLEOSIDES OR OLIGONUCLEOTIDES; PARTICULARLY EFFECTIVE FOR BLADDER, PROSTATE AND KIDNEY EMORY UNIVERSITY (US) 1997-02-04 US disclosed
EP-0731808-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1996-09-18 EP disclosed
WO-1996014073-A1 TREATMENT OF UROGENITAL CANCER WITH BORON NEUTRON CAPTURE THERAPY EMORY UNIVERSITY (US) 1996-05-17 WO disclosed
WO-1995015333-A1 NUCLEOSIDES AND OLIGONUCLEOTIDES CONTAINING BORON CLUSTERS EMORY UNIVERSITY (US) 1995-06-08 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-20020160969-A1 Nucleosides and oligonucleotides containing boron clusters NUDT1, NTPCR, NAMPT SRC 4441/4885EGFR 2262/4885ABL1 1651/4885

“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.