SCHEMBL15399361

SCHEMBL15399361

O=C(OCc1ccccc1)N1CCCC2(CCO2)C1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP2C19 P33261 2/20 0.47
MGLL Q99685 2/20 0.45
PREP P48147 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RORC P51449 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ENPP2 Q13822 1/20 0.43
ATXN2 Q99700 1/20 0.43

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
SCHEMBL15958471 1.00 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958466 1.00 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958476 0.92 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958479 0.92 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15399354 0.92 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3223048 0.91 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15958454 0.88 MEN1 (0.59) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26690753 0.86 MEN1 (0.66) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL18132077 0.85 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13395027 0.84 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
EP-2867238-B1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY (AU) 2017-08-09 EP disclosed
EP-2867238-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BioSciences Australia Pty Ltd (AU) 2015-05-06 EP disclosed
US-8809359-B2 Phenyl amino pyrimidine bicyclic compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-08-19 US disclosed
US-8809359-B2 Phenyl amino pyrimidine bicyclic compounds and uses thereof YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-08-19 US disclosed
WO-2014000032-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD (AU) 2014-01-03 WO disclosed
US-20140005161-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD (US) 2014-01-02 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-20140005161-A1 PHENYL AMINO PYRIMIDINE BICYCLIC COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 MEN1 3792/4885KMT2A 1094/4885NPSR1 4383/4885

“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.