SCHEMBL13787643

SCHEMBL13787643

Cn1ncc2c(Cl)nncc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
PDE2A O00408 1/20 0.35
CCR4 P51679 1/20 0.32
KAT2B Q92831 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL31447623 1.00 PI4KA (0.35) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL12670037 0.78 ADORA2A (0.33) PI4KAPI4K2BPI4K2API4KBIDO1
SCHEMBL13787652 0.76 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBIDO1
SCHEMBL20674467 0.76 IDO1 (0.33) PI4KAPI4K2BPI4K2API4KBIDO1
SCHEMBL31447617 0.76 IDO1 (0.33) PI4KAPI4K2BPI4K2API4KBIDO1
SCHEMBL28954911 0.71 PI4KA (0.37) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL9600939 0.71 HSD11B1 (0.39) ALDH1A1
SCHEMBL30295640 0.71 RXFP1 (0.41) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL3432421 0.71 PDE2A (0.38) PI4KAPI4K2BPI4K2API4KBPDE2A
SCHEMBL17873835 0.71 RXFP1 (0.41) PI4KAPI4K2BPI4K2API4KBPDE2A

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
WO-2025044946-A1 COMPOUND ACTING AS MRGPRX2 ANTAGONIST, AND PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2025-03-06 WO disclosed
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-9186369-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C INDENIX PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8742101-B2 Purine nucleoside analogues for treating flaviviridae including hepatitis C IDENIX PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C IDENIX PHARMACEUTICALS, INC. (US) 2009-07-02 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-20140234251-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP PI4KA 3104/4885PI4K2B 2860/4885PI4K2A 3070/4885
US-20090169507-A1 PURINE NUCLEOSIDE ANALOGUES FOR TREATING FLAVIVIRIDAE INCLUDING HEPATITIS C PNP, TPMT, MTAP PI4KA 3104/4885PI4K2B 2860/4885PI4K2A 3070/4885

“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.