SCHEMBL5306377

SCHEMBL5306377

O=C(O)C(C(=O)O)c1cncc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.39
CTSA P10619 1/20 0.35
S1PR3 Q99500 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
GRM5 P41594 1/20 0.34
SRC P12931 1/20 0.31
CSF1R P07333 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL21381606 0.85 MAPK1 (0.37) CDK2CTSAS1PR3GRM5SRC
SCHEMBL8218238 0.79 CDK2 (0.35) CDK2CTSAS1PR3HCAR2GRM5
SCHEMBL26122997 0.78 MAPK1 (0.39) CDK2CTSAS1PR3GRM5SRC
SCHEMBL30556962 0.78 MAPK1 (0.39) CDK2CTSAS1PR3GRM5SRC
SCHEMBL5309259 0.78 MAPT (0.36) CTSA
SCHEMBL21381538 0.77 AKR1C3 (0.37) CDK2CTSAS1PR3KDM4EMEN1
SCHEMBL21381412 0.77 CTSA (0.34) CDK2CTSAS1PR3HCAR2GRM5
SCHEMBL2580431 0.75 ALDH1A1 (0.38) CTSAKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1811481 0.74 LMNA (0.57) CDK2CTSAS1PR3KMT2A
SCHEMBL8224405 0.71 CTSA (0.32) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007035153-A1 NOVEL PROCESS FOR THE PREPARATION OF 6-METHYL-PYRAZIN-2-YLAMINE ASTRAZENECA AB (SE) 2007-03-29 WO claimed
EP-2563125-A1 AZAINDOLES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-03-06 EP disclosed
US-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS CASH BRANDON (US) 2013-02-14 US disclosed
WO-2007035153-A1 NOVEL PROCESS FOR THE PREPARATION OF 6-METHYL-PYRAZIN-2-YLAMINE ASTRAZENECA AB (SE) 2007-03-29 WO disclosed
WO-2007035154-A1 NOVEL N-PYRAZINIL-PHENYLSULFONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS FOR USE IN THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2007-03-29 WO 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 (1 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-20130040933-A1 AZAINDOLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 CDK2 181/4885CTSA 2624/4885S1PR3 1453/4885

“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.