SCHEMBL3330901

SCHEMBL3330901

COC(=O)c1ccccc1-n1c(Cl)nc2ccccc2c1=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
KDM4E B2RXH2 3/20 0.53
POLB P06746 3/20 0.52
MYC P01106 1/20 0.51
ALDH1A1 P00352 4/20 0.49
LMNA P02545 4/20 0.49
EGFR P00533 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
RAB9A P51151 1/20 0.43
BRD4 O60885 1/20 0.43
PLIN1 O60240 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL11489446 0.84 TSHR (0.71) TSHRKDM4EPOLBMYCALDH1A1
SCHEMBL11476044 0.82 TSHR (0.71) TSHRKDM4EPOLBMYCALDH1A1
SCHEMBL11475735 0.82 TSHR (0.71) TSHRKDM4EPOLBMYCALDH1A1
SCHEMBL11482821 0.76 TSHR (0.56) TSHRKDM4EPOLBALDH1A1LMNA
SCHEMBL11473835 0.75 TSHR (0.55) TSHRKDM4EMYCALDH1A1LMNA
SCHEMBL11476693 0.75 TSHR (0.55) TSHRKDM4EPOLBALDH1A1LMNA
SCHEMBL31540617 0.74 L3MBTL1 (0.52) ALDH1A1LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL11563775 0.74 TSHR (0.54) TSHRKDM4EMYCALDH1A1LMNA
SCHEMBL8481561 0.74 MYC (0.56) TSHRKDM4EPOLBMYCALDH1A1
SCHEMBL2119910 0.73 ALDH1A1 (0.62) TSHRKDM4EPOLBALDH1A1LMNA

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-20100144714-A1 DERIVATIVES OF IMIDAZO PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2010-06-10 US disclosed
EP-2129675-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2009-12-09 EP disclosed
WO-2008090286-A2 DERIVATIVES OF IMIDAZO, PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG IPSEN PHARMA S.A.S. (FR) 2008-07-31 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-20100144714-A1 DERIVATIVES OF IMIDAZO PYRIMIDO AND DIAZEPINE PYRIMIDINE-DIONE, AND USE THEREOF AS A DRUG CNR1, CNR2, TBXA2R TSHR 503/4885KDM4E 1891/4885POLB 3933/4885

“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.