SCHEMBL15739713

SCHEMBL15739713

CNc1ccc(-n2cncn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PIM1 P11309 1/20 0.38
CYP2A6 P11509 1/20 0.38
EGFR P00533 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9110821 0.78 KDM4E (0.54) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL20008835 0.77 KDM4E (0.53) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL12859249 0.77 KDM4E (0.49) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL14076589 0.75 SMN1; SMN2 (0.55) KDM4EALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL9909932 0.74 LMNA (0.53) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL354153 0.74 KDM4E (0.66) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL1963980 0.74 KMT2A (0.49) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL29973132 0.74 MAPT (0.45) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL584903 0.74 MAPT (0.45) LMNAKDM4EPOLBALDH1A1MEN1
SCHEMBL2644945 0.74 MAPT (0.48) LMNAKDM4EPOLBALDH1A1MEN1

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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
US-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-10-15 US disclosed
WO-2014078813-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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-20150291598-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES CYP11B2, CYP11B1, SLC10A1 LMNA 945/4885KDM4E 3176/4885POLB 3901/4885

“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.