SCHEMBL4969622

SCHEMBL4969622

CC(OCP(=O)(O)O)c1ncc2[nH]cnc2n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TYMP P19971 3/20 0.35
HPRT1 P00492 4/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.32
CDK2 P24941 1/20 0.32
MAP3K7 O43318 1/20 0.32
MAP3K6 O95382 1/20 0.32
MAP3K5 Q99683 1/20 0.32
CTSA P10619 1/20 0.32
POLA1 P09884 1/20 0.32
FGFR1 P11362 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.31
PAK1 Q13153 1/20 0.31

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
SCHEMBL4241363 0.78 PDPK1 (0.42) KDM4ECYP3A4TP53CDK2FGFR1
SCHEMBL4447459 0.76 KDM4E (0.47) KDM4EALDH1A1RXFP1TP53CDK2
SCHEMBL31058752 0.73 KDM4E (0.50) KDM4EALDH1A1RXFP1TP53CDK2
SCHEMBL3578267 0.72 ALDH1A1 (0.53) KDM4EALDH1A1RXFP1TP53CDK2
SCHEMBL3044447 0.72 ALDH1A1 (0.41) KDM4EALDH1A1RXFP1HPRT1CDK2
SCHEMBL3054589 0.71 ALDH1A1 (0.40) KDM4EALDH1A1RXFP1TYMPHPRT1
SCHEMBL9617743 0.71 ALDH1A1 (0.40) KDM4EALDH1A1RXFP1HPRT1CDK2
SCHEMBL4241346 0.70 CYP3A4 (0.38) TYMPHPRT1CYP3A4FGFR1SLC22A6
SCHEMBL8708640 0.69 ALDH1A1 (0.38) KDM4EALDH1A1RXFP1HPRT1CDK2
SCHEMBL2640836 0.68 ALDH1A1 (0.53) KDM4EALDH1A1RXFP1CDK2MAP3K7

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-20080300222-A1 Phosphoantigen Salts Of Organic Bases And Methods For Their Crystallization INNATE PHARMA (FR) 2008-12-04 US disclosed
EP-1933848-A2 PHOSPHOANTIGEN SALTS OF ORGANIC BASES AND METHODS FOR THEIR CRYSTALLIZATION Innate Pharma (FR) 2008-06-25 EP disclosed
WO-2007039635-A2 PHOSPHOANTIGEN SALTS OF ORGANIC BASES AND METHODS FOR THEIR CRYSTALLIZATION INNATE PHARMA (FR) 2007-04-12 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-20080300222-A1 Phosphoantigen Salts Of Organic Bases And Methods For Their Crystallization HLA-B, LCK, HLA-A KDM4E 4391/4885ALDH1A1 4878/4885RXFP1 4857/4885

“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.