SCHEMBL4699799

SCHEMBL4699799

O=CNOC(=O)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
NAPRT Q6XQN6 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
TSHR P16473 3/20 0.47
ADORA3 P0DMS8 1/20 0.47
MC4R P32245 1/20 0.47
ADRA1A P35348 1/20 0.47
MC3R P41968 1/20 0.47
POLB P06746 3/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL19352346 0.79 KDM4E (0.52) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL11568341 0.76 TSHR (0.56) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL27796737 0.76 CES2 (0.50) KDM4ENAPRTPOLBKMT2AALDH1A1
SCHEMBL29651938 0.76 KDM4E (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL108950 0.76 KDM4E (0.57) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL29556324 0.75 KDM4E (0.61) KDM4ENAPRTHCAR2TSHRADORA3
SCHEMBL875263 0.75 KDM4E (0.61) KDM4ENAPRTHCAR2TSHRADORA3
Hydrochloric Acid SCHEMBL29070148 0.74 KDM4E (0.55) KDM4ENAPRTHCAR2TSHRADORA3
Hydrochloric Acid SCHEMBL30529579 0.74 KDM4E (0.55) KDM4ENAPRTHCAR2TSHRADORA3
Hydrochloric Acid SCHEMBL27902568 0.74 KDM4E (0.55) KDM4ENAPRTHCAR2TSHRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US disclosed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 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-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 KDM4E 1400/4885NAPRT 1458/4885HCAR2 1488/4885

“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.