SCHEMBL7930936

SCHEMBL7930936

C/C=C/c1nc2ccccc2nc1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
POLB P06746 2/20 0.37
RAD52 P43351 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ELANE P08246 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL7934288 0.80 KDM4E (0.40) KDM4EMAPK1MAPTKMT2ASMN1; SMN2
SCHEMBL2024127 0.79 KDM4E (0.46) KDM4EMAPK1LMNAALDH1A1HPGD
SCHEMBL2491027 0.77 KDM4E (0.53) KDM4EMAPK1LMNAALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL28585108 0.75 KDM4E (0.52) KDM4EMAPK1LMNAALDH1A1HPGD
SCHEMBL12708285 0.75 PDE10A (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7927833 0.75 PDE10A (0.48) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23430686 0.74 TLR8 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL12409504 0.74 ALDH1A1 (0.48) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL14430830 0.74 TLR8 (0.47) KDM4EMAPK1LMNAALDH1A1HPGD
Hydrochloric Acid SCHEMBL28608867 0.73 KDM4E (0.50) KDM4EMAPK1LMNAALDH1A1HPGD

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 KDM4E 322/4885MAPK1 985/4885LMNA 2358/4885

“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.