SCHEMBL3010136

SCHEMBL3010136

O=C(O)COc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.60
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
AKR1B1 P15121 1/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL27542697 0.88 PTGDR2 (0.64) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL3480872 0.86 PTGDR2 (0.69) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL31534614 0.84 RAB9A (0.55) MAPTTDP1HSD17B10ALDH1A1LMNA
SCHEMBL31324800 0.83 PTGDR2 (0.62) PTGDR2MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL10896752 0.83 PTGDR2 (0.62) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL13215131 0.82 POLB (0.52) MAPTTDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL16095891 0.82 PTGDR2 (0.60) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL6921762 0.81 PTGDR2 (0.63) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL1531280 0.81 PTGDR2 (0.63) PTGDR2MAPTTDP1ALDH1A1LMNA
SCHEMBL10788762 0.80 MEN1 (0.66) PTGDR2MAPTTDP1ALDH1A1LMNA

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 PTGDR2 1627/4885MAPT 2102/4885TDP1 698/4885

“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.