SCHEMBL10104557

SCHEMBL10104557

Nc1nc(Cl)nc2c(Cl)ncnc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.42
HTT P42858 2/20 0.37
CSNK1A1 P48729 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CFTR P13569 1/20 0.32
ADORA3 P0DMS8 4/20 0.31
ADORA2A P29274 2/20 0.31
ADORA1 P30542 2/20 0.31
PDE8A O60658 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL7930934 0.85 CDK1 (0.43) CDK1CSNK1A1CLK4CFTRADORA3
SCHEMBL7940096 0.80 SMN1; SMN2 (0.33) HTTADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL6359268 0.75 CDK1 (0.39) CDK1HTTCSNK1A1CLK4ALDH1A1
SCHEMBL7938941 0.74 CDK1 (0.45) CDK1HTTCSNK1A1CLK4CFTR
SCHEMBL31419892 0.71 SMN1; SMN2 (0.41) HTTADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL2117765 0.71 SMN1; SMN2 (0.41) HTTADORA3ADORA2AADORA1SMN1; SMN2
SCHEMBL10503500 0.71 YTHDC1 (0.47) ADORA3ADORA2AADORA1
SCHEMBL10503166 0.71 CHRM4 (0.35) ADORA3KMT2A
SCHEMBL41301 0.69
SCHEMBL22715140 0.68 CDC7 (0.38) CDK1ADORA3ADORA2AADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
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 (2 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-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS CDK1 80/4885HTT 3221/4885CSNK1A1 1415/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 CDK1 7/4885HTT 4227/4885CSNK1A1 621/4885

“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.