SCHEMBL10106205

SCHEMBL10106205

Cc1ccc([N+](=O)[O-])cc1Nc1ncnc2c(Cl)ncnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 6/20 0.49
WDR5 P61964 3/20 0.49
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MCL1 Q07820 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
TNF P01375 1/20 0.42
CRHBP P24387 1/20 0.42

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
SCHEMBL10106211 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AWDR5LMNAMEN1
SCHEMBL6788099 0.77 PDE5A (0.62) ALDH1A1MAPTHTT
SCHEMBL1241944 0.76 KMT2A (0.64) ALDH1A1KMT2AWDR5LMNAMEN1
SCHEMBL10119146 0.76 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL5570040 0.76 MEN1 (0.74) ALDH1A1KMT2AMEN1GAAPOLB
SCHEMBL10105969 0.75 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAMEN1GAA
SCHEMBL3565261 0.75 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1GAANPC1
SCHEMBL5611128 0.75 KMT2A (0.62) ALDH1A1KMT2AWDR5LMNAMEN1
SCHEMBL10106136 0.75 MAPK14 (0.49) LMNA
SCHEMBL10105955 0.74 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAMEN1GAA

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-2350083-B1 PYRIMIDO[5,4-D]PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-17 EP disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US 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-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ALDH1A1 860/4885KMT2A 3531/4885WDR5 2344/4885

“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.