SCHEMBL3940461

SCHEMBL3940461

COC(=O)CCc1cc(C)nn1C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
FFAR1 O14842 1/20 0.38
KAT2B Q92831 1/20 0.37
HTT P42858 1/20 0.36
DAO P14920 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 2/20 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
SCHEMBL21570111 0.86 LMNA (0.49) P2RX7TSHRSMN1; SMN2RAB9AFFAR1
SCHEMBL15243997 0.83 CYP11B1 (0.40) TSHRCYP11B1CYP11B2KAT2BHTT
SCHEMBL3930006 0.81 KDM4E (0.50) P2RX7TSHRSMN1; SMN2RAB9AFFAR1
SCHEMBL24159031 0.80 P2RX7 (0.47) P2RX7TSHRSMN1; SMN2FFAR1HTT
SCHEMBL13799645 0.77 TSHR (0.45) TSHRSMN1; SMN2KAT2BHTTKDM4E
SCHEMBL21576140 0.77 P2RX7 (0.48) P2RX7TSHRSMN1; SMN2FFAR1DAO
SCHEMBL27718194 0.74 ALDH1A1 (0.41) P2RX7TSHRSMN1; SMN2FFAR1HTT
SCHEMBL19634920 0.73 P2RX7 (0.40) P2RX7SMN1; SMN2GAAFFAR1DAO
SCHEMBL8270927 0.72 KDM4E (0.59) TSHRSMN1; SMN2GAARAB9AHTT
SCHEMBL2824324 0.72 KDM4E (0.48) SMN1; SMN2FFAR1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101501030-A Pyrimidine derivatives useful in the treatment of cancer ASTRAZENECA AB (SE) 2009-08-05 CN disclosed
EP-2044063-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Astra Zeneca AB (SE) 2009-04-08 EP disclosed
WO-2008001070-A1 PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-01-03 WO disclosed
US-20080004302-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-01-03 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 (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-20080004302-A1 Novel Compounds CYP11B2, CYP11B1, CYP46A1 P2RX7 2031/4885TSHR 4347/4885SMN1; SMN2 1059/4885

“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.