SCHEMBL1781148

SCHEMBL1781148

CCOc1cc(OC2CCN(C)CC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
F10 P00742 2/20 0.42
NEK2 P51955 2/20 0.41
PLK1 P53350 2/20 0.41
KCNH2 Q12809 1/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40

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
SCHEMBL1911953 0.93 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL1911981 0.93 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL1912038 0.93 KDM4E (0.45) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL1911949 0.86 HRH3 (0.44) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL375544 0.85 HRH3 (0.52) ALDH1A1HSD17B10MAOAMAOBHRH3
SCHEMBL29446161 0.85 HRH3 (0.52) ALDH1A1HSD17B10MAOAMAOBHRH3
SCHEMBL9998836 0.84 HRH3 (0.46) ALDH1A1POLBMAOAMAOBHRH3
SCHEMBL1911930 0.84 HRH3 (0.48) KDM4EMEN1ALDH1A1POLBMAPT
SCHEMBL10207585 0.81 MAOA (0.46) MAOAMAOBHRH3SMN1; SMN2NEK2
SCHEMBL1645653 0.81 HRH3 (0.54) MAOAMAOBHRH3SMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287156-B1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-05-29 EP disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 KDM4E 4543/4885MEN1 167/4885ALDH1A1 2972/4885

“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.