SCHEMBL7938614

SCHEMBL7938614

CN(c1nc2ccccc2nc1C=O)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GBA1 P04062 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 4/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MITF O75030 1/20 0.37
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
CHEK2 O96017 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL7939699 0.83 KMT2A (0.43) KMT2AMEN1GBA1SMN1; SMN2POLB
SCHEMBL2046631 0.80 KDM4E (0.42) KMT2AMEN1SMN1; SMN2POLBTSHR
SCHEMBL2716923 0.75 KMT2A (0.44) KMT2AMEN1GBA1SMN1; SMN2POLB
SCHEMBL7935670 0.74 ALOX15 (0.37) KMT2AMEN1SMN1; SMN2TSHRALDH1A1
SCHEMBL2023434 0.66 ERN1 (0.49) KMT2AMEN1SMN1; SMN2TSHRMAPK1
SCHEMBL25774139 0.64 NCF1 (0.61) KMT2AMEN1GBA1SMN1; SMN2POLB
SCHEMBL8133428 0.63 GBA1 (0.59) KMT2AMEN1GBA1SMN1; SMN2POLB
SCHEMBL4867366 0.63 GBA1 (0.79) KMT2AMEN1GBA1SMN1; SMN2POLB
SCHEMBL5101956 0.63 MAPT (0.44) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL20551851 0.63 MAPT (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1GAA

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 3114/4885GBA1 2753/4885

“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.