SCHEMBL3429440

SCHEMBL3429440

CN1CCN(CCO)C[C@H]1CO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SIGMAR1 Q99720 3/20 0.33
GBA1 P04062 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL14438561 1.00 MAPK1 (0.40) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3428847 1.00 MAPK1 (0.40) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3428782 0.88 SIGMAR1 (0.38) ALDH1A1KMT2AMEN1SIGMAR1GBA1
SCHEMBL9801193 0.86 MAPK1 (0.39) MAPK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3429437 0.84 MEN1 (0.32) KMT2AMEN1
SCHEMBL3428842 0.84 MEN1 (0.32) KMT2AMEN1
SCHEMBL24802087 0.83 SIGMAR1 (0.35) KMT2AMEN1SIGMAR1GBA1HSD11B1
SCHEMBL25873415 0.83 SIGMAR1 (0.35) KMT2AMEN1SIGMAR1GBA1HSD11B1
SCHEMBL12439866 0.83 SIGMAR1 (0.35) KMT2AMEN1SIGMAR1GBA1HSD11B1
SCHEMBL24801839 0.82 MEN1 (0.33) KMT2AMEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 MAPK1 896/4885KDM4E 3366/4885ALDH1A1 402/4885

“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.