Sugi Predict

Sugi Predict / Compounds / SCHEMBL6906126

SCHEMBL6906126

SCHEMBL6906126

COc1ncnc2nc[nH]c12.O=P(O)(O)OC[C@H]1OC(O)[C@@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.51
▸ FBP1 P09467 2/20 0.42
▸ HPRT1 P00492 1/20 0.42
▸ P2RY2 P41231 2/20 0.42
▸ P2RY6 Q15077 1/20 0.42
▸ AMDHD2 Q9Y303 1/20 0.41
▸ IMPDH2 P12268 1/20 0.40
▸ IMPDH1 P20839 1/20 0.40
▸ DNPH1 O43598 3/20 0.39
▸ TRPM2 O94759 2/20 0.39
▸ TAS1R3 Q7RTX0 2/20 0.39
▸ TAS1R1 Q7RTX1 2/20 0.39
▸ PRKAB2 O43741 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ P2RY1 P47900 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39

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
SCHEMBL6905119 0.91 TRPM2 (0.46) PDPK1P2RY2P2RY6TRPM2MACROD2
Adenine SCHEMBL7996359 0.85 TRPM2 (0.49) FBP1HPRT1P2RY2DNPH1TRPM2
Adenine SCHEMBL11136514 0.85 TRPM2 (0.49) FBP1HPRT1P2RY2DNPH1TRPM2
Mercaptopurine Anhydrous SCHEMBL8627151 0.85 FBP1 (0.44) FBP1HPRT1P2RY2AMDHD2DNPH1
Adenine SCHEMBL3921122 0.85 TRPM2 (0.49) FBP1HPRT1P2RY2DNPH1TRPM2
Ribose (Furanose) SCHEMBL291402 0.85 PDPK1 (0.61) PDPK1CDK1CDK2
SCHEMBL11011378 0.84 FBP1 (0.45) PDPK1FBP1HPRT1P2RY2DNPH1
SCHEMBL16087357 0.81 PRMT1 (0.48) DNPH1PRKAA1SMN1; SMN2CDK2
SCHEMBL16087406 0.81 BRD4 (0.46) DNPH1PRKAA1SMN1; SMN2CDK2
SCHEMBL16086967 0.80 SMN1; SMN2 (0.48) DNPH1SMN1; SMN2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699690-B2 LINKED AND CONTROLLING THE EXPRESSION OF A HETEROLOGOUS ENZYME, FOR EXAMPLE VARICELLA ZOSTER VIRUS THYMIDINE KINASE OR NON-MAMMALIAM CYTOSINE DEAMINASE SMITHKLINE BEECHAM CORPORATION 2004-03-02 — — US disclosed
US-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase SMITHKLINE BEECHAM CORPORATION 2002-05-09 — — US disclosed
US-6337209-B1 A CHIMERIC MOLECULE; THERAPY FOR COLORECTAL CANCER GLAXO WELLCOME INC. 2002-01-08 — — US disclosed
US-6300490-B1 EXPRESSION VECTOR CODING CYTOSINE DEAMINASE; FOR USE IN THE TREATMENT OF CANCERS GLAXO WELLCOME INC. 2001-10-09 — — US disclosed
EP-0294114-A2 Antiviral compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 — — 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 (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-20020055482-A1 Linked and controlling the expression of a heterologous enzyme, for example Varicella Zoster Virus Thymidine Kinase or non-mammaliam Cytosine Deaminase TK1, CDA, DCTD PDPK1 1450/4885FBP1 948/4885HPRT1 114/4885

“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.