SCHEMBL4904236

SCHEMBL4904236

CCOC(=O)c1cccc(Nc2nccc(-c3cc[n+]([O-])cc3)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.58
▸ BCR P11274 4/20 0.58
▸ SRC P12931 2/20 0.58
▸ SYK P43405 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ NPC1 O15118 2/20 0.57
▸ RAB9A P51151 2/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ MAPT P10636 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ PRKCA P17252 2/20 0.51
▸ PIK3CG P48736 4/20 0.48
▸ MAPK8 P45983 2/20 0.48
▸ GSK3B P49841 2/20 0.48
▸ CAMKK2 Q96RR4 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ CAMK2D Q13557 2/20 0.48
▸ CDC25B P30305 1/20 0.47

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
SCHEMBL4903303 0.88 ABL1 (0.66) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL1927060 0.85 ABL1 (0.80) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL5732836 0.83 SYK (0.61) ABL1BCRSRCSYKSMN1; SMN2
Water SCHEMBL7817247 0.82 SYK (0.59) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL14254256 0.80 SYK (0.55) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL14253952 0.79 SYK (0.59) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL5998636 0.78 SMN1; SMN2 (0.57) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL3609221 0.78 ABL1 (0.57) ABL1BCRSRCSYKSMN1; SMN2
SCHEMBL8489646 0.77 PIK3CG (0.76) ABL1BCRSYKNPC1RAB9A
SCHEMBL34463164 0.76 KIT (0.61) ABL1BCRSRCSYKPIK3CG

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 ABL1 2843/4885BCR 2315/4885SRC 3368/4885

“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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