SCHEMBL7937705

SCHEMBL7937705

C/C=C/c1nc2ccccc2nc1N(C)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CREBBP Q92793 1/20 0.33
ACP1 P24666 1/20 0.33
LATS1 O95835 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 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
SCHEMBL7927969 0.83 PDE10A (0.38) GAAALOX15TSHRLMNAL3MBTL1
SCHEMBL7935670 0.82 ALOX15 (0.37) GAAALOX15TSHRCREBBPACP1
SCHEMBL14781335 0.80 GAA (0.36) GAAMAPTMEN1KMT2ANPC1
SCHEMBL7939699 0.75 KMT2A (0.43) GAATSHRLMNAALDH1A1MAPT
SCHEMBL7327853 0.73 KMT2A (0.51) GAAALOX15TSHRCREBBPL3MBTL1
SCHEMBL7930936 0.73 KDM4E (0.41) GAALMNAL3MBTL1ALDH1A1HPGD
SCHEMBL7942736 0.70 PDE10A (0.56) GAATSHRLMNAL3MBTL1ALDH1A1
SCHEMBL12708285 0.70 PDE10A (0.48) GAATSHRL3MBTL1ALDH1A1HPGD
SCHEMBL7927833 0.70 PDE10A (0.48) GAATSHRL3MBTL1ALDH1A1HPGD
SCHEMBL12409504 0.69 ALDH1A1 (0.48) GAALMNAL3MBTL1ALDH1A1MAPT

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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
US-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-06-30 US disclosed
WO-2010027097-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-11 WO 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-20110160206-A1 TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AS PDE10 INHIBITORS PDE10A, PDE12, PDE9A GAA 1065/4885ALOX15 3693/4885TSHR 3644/4885

“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.