SCHEMBL3075710

SCHEMBL3075710

Nc1ncn([C@H]2CC(O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.64
DNMT1 P26358 1/20 0.64
POLB P06746 3/20 0.58
P2RY2 P41231 3/20 0.55
P2RY4 P51582 3/20 0.55
P2RY6 Q15077 3/20 0.55
NT5E P21589 1/20 0.53
DTYMK P23919 2/20 0.49
POLG P54098 2/20 0.49
ENPP1 P22413 1/20 0.49
P2RY1 P47900 1/20 0.49
P2RX1 P51575 1/20 0.48
P2RX3 P56373 1/20 0.48
P2RX2 Q9UBL9 1/20 0.48

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
SCHEMBL1152753 1.00 ADRB1 (0.64) ADRB1DNMT1POLBP2RY2P2RY4
SCHEMBL1152822 0.90 ADRB1 (0.71) ADRB1DNMT1POLBNT5EENPP1
SCHEMBL26031224 0.86 POLB (0.56) ADRB1DNMT1POLBP2RY2P2RY4
SCHEMBL12932288 0.86 POLB (0.56) ADRB1DNMT1POLBP2RY2P2RY4
SCHEMBL15810820 0.86 POLB (0.56) ADRB1DNMT1POLBP2RY2P2RY4
Deoxycytidine Triphosphate SCHEMBL703664 0.84 POLB (0.78) POLBP2RY2P2RY4P2RY6POLG
Deoxycytidine Triphosphate SCHEMBL42135 0.84 POLB (0.78) POLBP2RY2P2RY4P2RY6POLG
Deoxycytidine Triphosphate SCHEMBL29725285 0.84 POLB (0.78) POLBP2RY2P2RY4P2RY6POLG
Deoxycytidine Triphosphate SCHEMBL18785037 0.84 POLB (0.78) POLBP2RY2P2RY4P2RY6POLG
SCHEMBL1615548 0.84 POLB (0.78) POLBP2RY2P2RY4P2RY6POLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER UNIV CASE WESTERN RESERVE (US) 2017-03-16 US disclosed
US-9498489-B2 Antimetabolite agent combinations in the treatment of cancer CASE WESTERN RESERVE UNIVERSITY (US) 2016-11-22 US disclosed
US-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER CASE WESTERN RESERVE UNIVERSITY 2010-10-21 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-20100267657-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG ADRB1 4555/4885DNMT1 188/4885POLB 24/4885
US-20170071965-A1 ANTIMETABOLITE AGENT COMBINATIONS IN THE TREATMENT OF CANCER DNASE1, DNASE1L3, UNG ADRB1 4555/4885DNMT1 188/4885POLB 24/4885

“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.