SCHEMBL5384266

SCHEMBL5384266

CN(C)CC(O)CN(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
CRHBP P24387 3/20 0.48
CRHR2 Q13324 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MMP14 P50281 1/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 3/20 0.43
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 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
SCHEMBL11484152 0.86 MAPT (0.51) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL16730044 0.80 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL4509880 0.76 ALDH1A1 (0.73) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL18660127 0.76 MAPT (0.77) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL529766 0.76 ALDH1A1 (0.62) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL13178169 0.76 ALDH1A1 (0.62) MAPTL3MBTL1CYP1A2CYP3A4TSHR
SCHEMBL1728626 0.75 MAPT (0.70) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL5674584 0.74 MAPT (0.69) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL1729465 0.73 MAPT (0.68) MAPTCRHBPCRHR2L3MBTL1CYP1A2
SCHEMBL27461760 0.73 MAPT (0.58) MAPTCRHBPCRHR2L3MBTL1CYP1A2

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 9 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
EP-1140860-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-10-10 EP disclosed
EP-1107957-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2001-06-20 EP disclosed
WO-2000039101-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-07-06 WO disclosed
WO-2000012485-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-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 MAPT 4681/4885CRHBP 4111/4885CRHR2 3294/4885

“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.