SCHEMBL726451

SCHEMBL726451

O=C(O)C(=O)c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
NAPRT Q6XQN6 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
P4HTM Q9NXG6 1/20 0.41
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL5086411 0.85 P2RX7 (0.52) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL27677548 0.77 NAPRT (0.50) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL108190 0.77
SCHEMBL6556263 0.76 P2RX7 (0.50) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL27638967 0.74 NAPRT (0.48) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL27936995 0.74 NAPRT (0.48) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL27821532 0.74 NAPRT (0.48) P2RX7CTNNB1WNT3ACES2CES1
Bromide SCHEMBL5264768 0.74 NAPRT (0.48) P2RX7CTNNB1WNT3ACES2CES1
Hydrochloric Acid SCHEMBL2553231 0.74 NAPRT (0.48) P2RX7CTNNB1WNT3ACES2CES1
SCHEMBL7483687 0.74 P2RX7 (0.43) P2RX7CTNNB1WNT3ACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US claimed
US-10245330-B2 Compositions and methods for imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-02 US disclosed
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-19 US disclosed
US-20130209360-A1 Compositions and Methods for Imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-15 US disclosed
WO-2012027274-A2 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-01 WO disclosed
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 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 (3 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-10245330-B2 Compositions and methods for imaging GPX4, PRDX5, PRDX2 P2RX7 2019/4885CTNNB1 2979/4885WNT3A 3425/4885
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING GPX4, PRDX5, PRDX2 P2RX7 2019/4885CTNNB1 2979/4885WNT3A 3425/4885
US-20130209360-A1 Compositions and Methods for Imaging GPX4, PRDX5, PRDX2 P2RX7 2019/4885CTNNB1 2979/4885WNT3A 3425/4885

“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.