SCHEMBL10105955

SCHEMBL10105955

CSc1ncc2ncnc(Nc3cc([N+](=O)[O-])ccc3C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
GAA P10253 2/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
TNF P01375 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL10105969 0.84 ALDH1A1 (0.47) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL10119146 0.82 ALDH1A1 (0.46) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL6996215 0.82 ABCG2 (0.57) BRAFEGFR
SCHEMBL10105970 0.81 EGFR (0.46) BRAFEGFR
SCHEMBL10104765 0.80 BRAF (0.53) MAPTBRAF
SCHEMBL10105963 0.79 BRAF (0.68) BRAF
SCHEMBL10106211 0.77 ALDH1A1 (0.53) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL8317837 0.76 EGFR (0.45) EGFR
SCHEMBL10106205 0.74 ALDH1A1 (0.50) ALDH1A1MEN1POLBKMT2ANPC1
SCHEMBL5570040 0.74 MEN1 (0.74) ALDH1A1MEN1POLBKMT2ANPC1

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
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
WO-2010026262-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 ALDH1A1 860/4885MEN1 1575/4885POLB 256/4885

“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.