SCHEMBL4903720

SCHEMBL4903720

CCOC(=O)N1CCN(CC(=O)Nc2ccc(Nc3nccc(-c4ccncc4)n3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
JAK2 O60674 9/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 3/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.50
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
JAK3 P52333 2/20 0.46
JAK1 P23458 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL4901676 0.91 JAK2 (0.54) ALDH1A1JAK2HDAC1HDAC6KDM4E
SCHEMBL4901647 0.90 ALDH1A1 (0.54) ALDH1A1KDM4ETDP1LMNATSHR
SCHEMBL4903667 0.87 PTK2 (0.53) JAK2HDAC1HDAC6KDM4ELMNA
SCHEMBL4905329 0.87 JAK2 (0.68) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4903418 0.86 ALDH1A1 (0.59) ALDH1A1JAK2HDAC1HDAC6KDM4E
SCHEMBL4901605 0.84 ABL1 (0.62) JAK2HDAC1HDAC6
SCHEMBL4903416 0.83 JAK2 (0.62) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4897520 0.83 ABL1 (0.67) LMNAHRH2JAK3
SCHEMBL4905299 0.81 SMN1; SMN2 (0.56) ALDH1A1LMNATSHRHRH2SMN1; SMN2
SCHEMBL14021582 0.79 GAA (0.58) JAK2HDAC1HDAC6KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US claimed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP claimed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 WO claimed
US-20080187575-A1 Pyrimidine Derivatives VICHEM CHEMIE KFT (HU) 2008-08-07 US disclosed
EP-1786781-A2 PYRIMIDINE DERIVATIVES GPC Biotech AG (DE) 2007-05-23 EP disclosed
WO-2006021458-A2 PYRIMIDINE DERIVATIVES GPC BIOTECH AG (DE) 2006-03-02 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-20080187575-A1 Pyrimidine Derivatives TYMP, TDP1, PNP ALDH1A1 376/4885JAK2 1695/4885HDAC1 4522/4885

“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.