SCHEMBL2376367

SCHEMBL2376367

CN(CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KCNJ1 P48048 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 2/20 0.51
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.49
MMP14 P50281 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTR7 P34969 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL2377976 0.92 MAPT (0.55) MAPTALDH1A1SMN1; SMN2KCNJ1LMNA
SCHEMBL2377728 0.87 MAPT (0.61) MAPTALDH1A1KCNJ1LMNAMMP14
SCHEMBL3567415 0.80 SIGMAR1 (0.65) MAPTALDH1A1SMN1; SMN2KCNJ1LMNA
SCHEMBL2375987 0.80 HTR7 (0.42) ALDH1A1SMN1; SMN2LMNAPOLBSIGMAR1
SCHEMBL12248089 0.79 HTR7 (0.41) MAPTALDH1A1SMN1; SMN2KCNJ1LMNA
SCHEMBL3573746 0.79 SIGMAR1 (0.64) MAPTALDH1A1SMN1; SMN2KCNJ1LMNA
SCHEMBL3570932 0.79 SIGMAR1 (0.56) MAPTALDH1A1KCNJ1LMNAMMP14
SCHEMBL2378594 0.78 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2KCNJ1LMNA
SCHEMBL3225925 0.77 KDM4E (0.46) MAPTALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL9383082 0.76 MAPT (0.48) MAPTALDH1A1KCNJ1MMP14SIGMAR1

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-2050749-B1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 2017-11-22 EP disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
US-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-03-18 US disclosed
EP-2050749-A1 PYRIMIDINE DERIVATIVE AS PI3K INHIBITOR AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-22 EP 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-20100069629-A1 PYRIMIDINE DERIVATIVES AS PI3K INHIBITOR AND USE THEREOF PIK3CA, AKT3, AKT1 MAPT 4385/4885ALDH1A1 2102/4885SMN1; SMN2 3098/4885

“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.