SCHEMBL264417

SCHEMBL264417

Cc1coc2c(=O)[nH]c(N)nc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TYMS P04818 6/20 0.39
PNP P00491 3/20 0.39
XDH P47989 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HBB P68871 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL12820590 0.76 BACE1 (0.42) TYMSPNPALDH1A1MITFTP53
SCHEMBL12820636 0.73 PNP (0.36) TYMSPNPMITFTP53THRB
SCHEMBL19417642 0.72 TYMS (0.44) CYP1A2TYMSXDH
SCHEMBL12820584 0.70 PNP (0.59) PNPXDH
SCHEMBL13847074 0.69 PNP (0.34) PNP
SCHEMBL13408705 0.68 TLR7 (0.40) TYMSPNP
SCHEMBL12820634 0.68 PNP (0.39) PNP
SCHEMBL264562 0.68 PARP1 (0.46) CYP1A2KDM4EALDH1A1LMNAGLA
SCHEMBL9808507 0.67 PNP (0.52) PNP
SCHEMBL4313736 0.66 PARP1 (0.70) TYMS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain CHILDREN'S MEDICAL CENTER CORPORATION 2012-10-04 US disclosed
US-8163703-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
US-8133870-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2012-03-13 US disclosed
WO-2011035009-A1 HETEROCYCLIC GTP CYCLOHYDROLASE 1 INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-03-24 WO disclosed
US-20100143300-A1 HEPATITIS C THERAPIES WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-06-10 US disclosed
US-7514410-B2 Hepatitis C therapies BIOCRYST PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-7429571-B2 Therapeutic furopyrimidines and thienopyrimidines BIOCRYST PHARMACEUTICALS, INC. (US) 2008-09-30 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 (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-20080300200-A1 Therapeutic Furopyrimidines and Thienopyrimidines DPYD, TYMP, TYMS CYP1A2 1114/4885TYMS 3/4885PNP 23/4885
US-20120252791-A1 Heterocyclic GTP Cyclohydrolase 1 Inhibitors For the Treatment of Pain GGH, GGPS1, GGT1 CYP1A2 1751/4885TYMS 43/4885PNP 189/4885
US-20100143300-A1 HEPATITIS C THERAPIES HAVCR2, FABP1, LIPC CYP1A2 982/4885TYMS 2462/4885PNP 446/4885

“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.