SCHEMBL2629520

SCHEMBL2629520

Nc1nc(S)c2cn[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.47
ADORA1 P30542 2/20 0.47
CDK2 P24941 1/20 0.43
XDH P47989 2/20 0.42
RET P07949 1/20 0.42
PI4KA P42356 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
CHEK1 O14757 2/20 0.35
PDPK1 O15530 1/20 0.35
AURKA O14965 1/20 0.34
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL1014920 0.79 XDH (0.55) ADORA2AADORA1CDK2XDHRET
SCHEMBL29487078 0.79 XDH (0.55) ADORA2AADORA1CDK2XDHRET
SCHEMBL6272754 0.79 XDH (0.36) ADORA2AADORA1XDHRETPI4KA
SCHEMBL14570604 0.76 ADORA2A (0.47) ADORA2AADORA1CDK2XDHRET
SCHEMBL19891462 0.76 ADORA2A (0.47) ADORA2AADORA1CDK2XDHRET
Benzene SCHEMBL25427466 0.76 RET (0.52) ADORA2AADORA1CDK2XDHRET
SCHEMBL341706 0.76 ADORA2A (0.47) ADORA2AADORA1CDK2XDHRET
SCHEMBL888387 0.76 ADORA2A (0.47) ADORA2AADORA1CDK2XDHRET
SCHEMBL7635298 0.76 XDH (0.34) ADORA2AADORA1CDK2XDHRET
SCHEMBL13829698 0.76 HTR2C (0.40) CDK2XDHRETPI4KALRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-20200239427-A1 NOVEL KINASE MODULATORS RHIZEN PHARMACEUTICALS AG (CH) 2020-07-30 US disclosed
US-10322130-B2 Substituted chromenones as modulators of protein kinases RHIZEN PHARMACEUTICALS SA (CH) 2019-06-18 US disclosed
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2019-04-11 US disclosed
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES RHIZEN PHARMACEUTICALS SA (CH) 2018-04-26 US disclosed
US-8158638-B2 Pyrazolopyrimidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-06 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 (6 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-20100113410-A1 PYRAZOLOPYRIMIDINE DERIVATIVE HSP90AB1, HSP90B1, HSP90AA1 ADORA2A 4221/4885ADORA1 3329/4885CDK2 848/4885
US-20190105324-A9 SUBSTITUTED CHROMENONES AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKAR2B ADORA2A 1012/4885ADORA1 2543/4885CDK2 210/4885
US-20180110783-A1 NOVEL COMPOUNDS AS MODULATORS OF PROTEIN KINASES PRKCA, PRKCH, PRKCB ADORA2A 1821/4885ADORA1 3736/4885CDK2 212/4885
US-20200239427-A1 NOVEL KINASE MODULATORS PRKCA, PRKCH, PRKCB ADORA2A 1556/4885ADORA1 3388/4885CDK2 311/4885
US-10322130-B2 Substituted chromenones as modulators of protein kinases MAP3K1, CSNK1A1, MAP3K2 ADORA2A 1079/4885ADORA1 1449/4885CDK2 48/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A ADORA2A 1129/4885ADORA1 1608/4885CDK2 73/4885

“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.