Sugi Predict

Sugi Predict / Compounds / SCHEMBL5387486

SCHEMBL5387486

SCHEMBL5387486

CN(C)CC(O)CN(C)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PSMD14 O00487 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ DNM1 Q05193 5/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ PHLPP2 Q6ZVD8 1/20 0.33

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
SCHEMBL5373968 0.81 TDP1 (0.46) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL6284041 0.75 TDP1 (0.41) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL5384266 0.75 MAPT (0.53) ALDH1A1CYP3A4MAPK1TDP1TSHR
SCHEMBL13370328 0.73 TDP1 (0.42) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL9437910 0.72 TDP1 (0.41) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL8538633 0.72 ALDH1A1 (0.67) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL11465980 0.71 AOC3 (0.38) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL188449 0.71 HIF1A (0.65) ALDH1A1TDP1HIF1ASMN1; SMN2HTT
SCHEMBL529255 0.71 AOC3 (0.52) ALDH1A1CYP3A4MAPK1TDP1TP53
SCHEMBL16914897 0.71 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1TDP1TP53

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
US-7176212-B2 2,4-diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB (SE) 2007-02-13 — — US disclosed
EP-1107957-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-10-18 — — EP disclosed
US-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity ASTRAZENECA AB 2005-04-28 — — US disclosed
EP-1140860-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2004-09-22 — — EP disclosed
US-6593326-B1 Useful as anti-cancer agents; and processes for their manufacture and pharmaceutical compositions containing them are described. Apoptotic effect in a warm-blooded animal such as man. ASTRAZENECA AB (SE) 2003-07-15 — — 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-20050090493-A1 2,4-Diamino pyrimidine compounds having anti-cell proliferative activity H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-0 ALDH1A1 289/4885CYP3A4 1647/4885MAPK1 2568/4885

“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.