SCHEMBL4705013

SCHEMBL4705013

COc1ccc(NC(c2cnc(Cl)nc2Cl)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 6/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
KCNH3 Q9ULD8 2/20 0.40
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36

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
SCHEMBL4689678 0.86 MEN1 (0.52) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4705214 0.80 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4705511 0.75 GAA (0.49) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4706529 0.71 NR1I2 (0.39) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6202984 0.71 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL14310487 0.70 AURKA (0.55) MAPTALDH1A1MEN1KMT2AKCNH3
SCHEMBL4692835 0.69 MAPT (0.45) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL4705192 0.69 NR1I2 (0.40) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL11528609 0.69 ALDH1A1 (0.56) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6205531 0.68 MAPT (0.50) MAPTSMN1; SMN2ALDH1A1GAAKDM4E

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-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
EP-1560832-B1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7112676-B2 Pyrimido compounds having antiproliferative activity HOFFMANN-LA ROCHE INC. (US) 2006-09-26 US disclosed
EP-1560832-A1 PYRIMIDO 4,5-D PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-08-10 EP disclosed
US-20050075272-A1 Pyrimido compounds having antiproliferative activity DERMATAKIS APOSTOLOS (US) 2005-04-07 US disclosed
WO-2004041822-A1 PYRIMIDO[4,5-D]PYRIMIDINE DERIVATIVES WITH ANTICANCER ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 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-20050075272-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FYN MAPT 3823/4885SMN1; SMN2 1764/4885ALDH1A1 1457/4885

“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.