SCHEMBL2386901

SCHEMBL2386901

CCOC(=O)C1COCCN1c1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.46
F10 P00742 2/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
PDE4D Q08499 1/20 0.38
PPIB P23284 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 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
SCHEMBL14711764 0.81 F10 (0.47) LGMNF10F2LMNACYP1A2
SCHEMBL27634306 0.80 FKBP1A (0.40) LMNAALDH1A1KMT2APOLBMEN1
SCHEMBL79066 0.80 F10 (0.51) LGMNF10F2LMNACYP1A2
SCHEMBL7376264 0.78 LGMN (0.40) LGMNF10F2LMNACYP1A2
SCHEMBL29671505 0.73 TSHR (0.50) LMNACYP1A2ALDH1A1KMT2ATSHR
SCHEMBL12021776 0.72 TSHR (0.46) LMNACYP3A4ALDH1A1KMT2APOLB
SCHEMBL29345109 0.72 TSHR (0.46) LMNACYP3A4ALDH1A1KMT2APOLB
SCHEMBL27932838 0.71 MTOR (0.38) LGMNLMNASMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27628171 0.71 TSHR (0.45) LMNACYP3A4ALDH1A1KMT2APOLB
SCHEMBL25018626 0.70 MTOR (0.50) PIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-12-01 US disclosed
EP-1518855-B1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE ASTELLAS PHARMA INC (JP) 2011-10-26 EP disclosed
US-8012959-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2011-09-06 US disclosed
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative ASTELLAS PHARM INC. (JP) 2009-11-12 US disclosed
US-7449456-B2 Diaminopyrimidinecarboxamide derivative ASTELLAS PHARMA, INC. (JP) 2008-11-11 US disclosed
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative ASTELLAS PHARMA INC. (JP) 2005-12-08 US disclosed
EP-1518855-A1 DIAMINOPYRIMIDINECARBOXA MIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-03-30 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 (3 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-20110294749-A1 DIAMINOPYRIMIDINECARBOXAMIDE DERIVATIVE STAT6, STAT4, STAT3 LGMN 4677/4885F10 4302/4885F2 3980/4885
US-20050272753-A1 Diaminopyrimidinecarboxa mide derivative STAT5A, STAT6, STAT4 LGMN 4806/4885F10 4414/4885F2 4061/4885
US-20090281072-A1 Diaminopyrimidinecarboxamide Derivative STAT6, STAT4, STAT3 LGMN 4677/4885F10 4302/4885F2 3980/4885

“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.