SCHEMBL4048718

SCHEMBL4048718

Cc1nc(Cl)c(C#N)c2c1CCC(C)(C)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.62
HTT P42858 5/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 10/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
KMT2A Q03164 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL31647935 0.94 KDM4E (0.62) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL2826099 0.88 ALDH1A1 (0.48) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL31647886 0.87 KDM4E (0.60) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL5243755 0.86 KDM4E (0.47) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL1338558 0.84 ALDH1A1 (0.51) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL13172069 0.84 KDM4E (0.42) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL1338304 0.81 KDM4E (0.45) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL1337426 0.78 KDM4E (0.43) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL1338636 0.78 HTT (0.65) KDM4EHTTGLAALDH1A1HPGD
SCHEMBL1338468 0.78 KDM4E (0.47) KDM4EHTTGLAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD KDM4E 1600/4885HTT 3871/4885GLA 829/4885

“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.