SCHEMBL7939699

SCHEMBL7939699

C/C=C/c1nc2ccccc2nc1N(C)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
GBA1 P04062 8/20 0.36
GAA P10253 1/20 0.36
PDE10A Q9Y233 1/20 0.35
CHEK2 O96017 1/20 0.34
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MITF O75030 1/20 0.32
PKM P14618 1/20 0.32
NMT1 P30419 1/20 0.31
NPC1 O15118 1/20 0.30

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
SCHEMBL7938614 0.83 KMT2A (0.50) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL7927969 0.80 PDE10A (0.38) KMT2AMEN1SMN1; SMN2TSHRMAPK1
SCHEMBL14781335 0.78 GAA (0.36) KMT2AMEN1SMN1; SMN2GAAPDE10A
SCHEMBL7937705 0.75 GAA (0.34) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL7942719 0.71 PDE10A (0.56) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL12409509 0.71 LCK (0.39) KMT2AMEN1SMN1; SMN2TSHRPDE10A
SCHEMBL2716923 0.71 KMT2A (0.44) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL7927833 0.68 PDE10A (0.48) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL12708285 0.68 PDE10A (0.48) KMT2AMEN1SMN1; SMN2TSHRGAA
SCHEMBL12646636 0.66 MAPT (0.39) KMT2AMEN1SMN1; SMN2POLBTSHR

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 KMT2A 1750/4885MEN1 3114/4885SMN1; SMN2 2888/4885

“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.