SCHEMBL4897484

SCHEMBL4897484

Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cnccc2N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 7/20 0.52
BCR P11274 6/20 0.52
ALDH1A1 P00352 1/20 0.51
PRKCA P17252 4/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
CDK2 P24941 7/20 0.46
CDK4 P11802 5/20 0.46
GSK3B P49841 4/20 0.46
AURKA O14965 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNB2 O95067 1/20 0.46
CCNE2 O96020 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
ABL2 P42684 1/20 0.46
CDK7 P50613 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
SCHEMBL4737145 0.92 ALDH1A1 (0.55) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL4266615 0.83 ALDH1A1 (0.55) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL4902699 0.83 ALDH1A1 (0.47) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL2573788 0.83 ABL1 (0.65) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL24885815 0.82 ALDH1A1 (0.52) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL30078120 0.82 ALDH1A1 (0.52) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL29364396 0.82 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL2572267 0.82 ABL1 (0.54) ABL1BCRALDH1A1PRKCAEGFR
SCHEMBL1550 0.82 ABL1 (0.69) ABL1BCRPRKCAEGFRSRC
SCHEMBL3228877 0.82 ALDH1A1 (0.49) ABL1BCRALDH1A1PRKCAEGFR

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 7 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
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 2315/4885ALDH1A1 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.