SCHEMBL4905299

SCHEMBL4905299

CCOC(=O)N1CCN(CCC(=O)Nc2ccc(C)c(Nc3nccc(-c4ccncc4)n3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ ABL1 P00519 11/20 0.55
▸ BCR P11274 8/20 0.55
▸ TP53 P04637 1/20 0.54
▸ KIT P10721 5/20 0.52
▸ ABL2 P42684 3/20 0.52
▸ PDGFRB P09619 2/20 0.52
▸ PLK4 O00444 1/20 0.52
▸ DDX3X O00571 1/20 0.52
▸ GAK O14976 1/20 0.52
▸ SLC22A2 O15244 1/20 0.52
▸ MAPK13 O15264 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ SLC22A3 O75751 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ EGFR P00533 1/20 0.52

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
SCHEMBL4901647 0.92 ALDH1A1 (0.54) LMNAALDH1A1TSHRABL1BCR
SCHEMBL4892416 0.90 ABL1 (0.63) LMNAABL1BCRKITABL2
SCHEMBL4897520 0.83 ABL1 (0.67) LMNAABL1BCRKITABL2
SCHEMBL4903153 0.82 ABL1 (0.63) LMNAABL1BCRKITABL2
SCHEMBL4903720 0.81 ALDH1A1 (0.60) SMN1; SMN2LMNAALDH1A1TSHRHRH2
SCHEMBL4901676 0.80 JAK2 (0.54) SMN1; SMN2LMNAALDH1A1TSHRABL1
SCHEMBL4892565 0.80 ABL1 (0.54) SMN1; SMN2LMNAABL1BCRTP53
SCHEMBL4905663 0.80 PDGFRA (0.62) ABL1BCRKITPDGFRBEGFR
SCHEMBL4903273 0.80 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1TSHRABL1
SCHEMBL4900880 0.78 ABL1 (0.54) LMNAABL1BCRKITABL2

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 SMN1; SMN2 52/4885LMNA 1955/4885ALDH1A1 376/4885

“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.

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