SCHEMBL17878170

SCHEMBL17878170

C#CCNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H](O)C1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNPH1 O43598 8/20 0.72
TAS1R3 Q7RTX0 2/20 0.69
TAS1R1 Q7RTX1 2/20 0.69
ADORA1 P30542 3/20 0.67
PRKAB2 O43741 1/20 0.67
TRPM2 O94759 1/20 0.67
LDHA P00338 1/20 0.67
ADRB2 P07550 1/20 0.67
FBP1 P09467 1/20 0.67
SRC P12931 1/20 0.67
P2RY2 P41231 1/20 0.67
P2RY1 P47900 1/20 0.67
PRKAG1 P54619 1/20 0.67
PRKAA2 P54646 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
PRKAA1 Q13131 1/20 0.67
PDE3A Q14432 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
P2RY11 Q96G91 1/20 0.67

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
SCHEMBL20705930 1.00 DNPH1 (0.72) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL17881927 1.00 DNPH1 (0.72) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL17868387 1.00 DNPH1 (0.72) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL29692558 0.92 P2RX3 (0.78) DNPH1TRPM2SRCP2RY2P2RY1
SCHEMBL29389555 0.92 P2RX3 (0.78) DNPH1TRPM2SRCP2RY2P2RY1
SCHEMBL8780669 0.91 DNPH1 (0.77) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL8780682 0.91 DNPH1 (0.77) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL30004415 0.88 DNPH1 (0.75) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL4307198 0.88 DNPH1 (0.75) DNPH1TAS1R3TAS1R1ADORA1PRKAB2
SCHEMBL26067680 0.88 DNPH1 (0.75) DNPH1TAS1R3TAS1R1ADORA1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196412-B2 Probe for imaging PARP-1 activity THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-05 US disclosed
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2016-06-30 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-10196412-B2 Probe for imaging PARP-1 activity PARP1, PARP2, PARP12 DNPH1 1646/4885TAS1R3 2606/4885TAS1R1 2017/4885
US-20160185805-A1 PROBE FOR IMAGING PARP-1 ACTIVITY PARP1, PARP2, PARP12 DNPH1 1646/4885TAS1R3 2606/4885TAS1R1 2017/4885

“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.