SCHEMBL3010141

SCHEMBL3010141

O=C(O)C(Cl)Oc1cccc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
F2 P00734 1/20 0.49
TSHR P16473 4/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HGFAC Q04756 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
KMO O15229 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44

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
SCHEMBL28320340 0.82 MEN1 (0.48) ALDH1A1LMNACES2CES1TDP1
SCHEMBL28226986 0.81 TP53 (0.50) TP53F2TSHRALDH1A1LMNA
SCHEMBL4998342 0.81 LMNA (0.54) TP53F2TSHRALDH1A1LMNA
SCHEMBL6921768 0.79 ALDH1A1 (0.49) TP53F2TSHRALDH1A1LMNA
SCHEMBL7535846 0.78 TP53 (0.46) TP53F2TSHRALDH1A1LMNA
SCHEMBL8472108 0.78 SMN1; SMN2 (0.52) TP53F2ALDH1A1KMOCHRNB2
SCHEMBL20299326 0.78 TSHR (0.52) TP53F2TSHRALDH1A1LMNA
SCHEMBL11045839 0.77 F2 (0.48) TP53F2TSHRALDH1A1LMNA
SCHEMBL7671999 0.77 TSHR (0.55) TP53F2TSHRALDH1A1LMNA
SCHEMBL6197458 0.77 TSHR (0.55) TP53F2TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185562-B1 PYRROLOPYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES JANSSEN PHARMACEUTICA NV (BE) 2015-12-02 EP disclosed
US-8318731-B2 Pyrrolopyrimidines JANSSEN PHARMACEUTICA NV (BE) 2012-11-27 US disclosed
US-20100204197-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2010-08-12 US disclosed
EP-2185562-A1 PYRROLOPYRIMIDINES Janssen Pharmaceutica, N.V. (BE) 2010-05-19 EP disclosed
WO-2009016132-A1 PYRROLOPYRIMIDINES JANSSEN PHARMACEUTICA NV (BE) 2009-02-05 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-20100204197-A1 PYRROLOPYRIMIDINES PLK4, PLK2, PLK3 TP53 376/4885F2 3451/4885TSHR 2994/4885

“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.