SCHEMBL12238985

SCHEMBL12238985

Nc1nc(N)c(C(=O)/N=C2\NCC3(CCN(C(=O)CCc4ccc(OCCOC5CCCCO5)cc4)CC3)N2)nc1I

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
ENPP2 Q13822 2/20 0.31
ATXN2 Q99700 2/20 0.31
ME2 P23368 1/20 0.31
ME1 P48163 1/20 0.31
ME3 Q16798 1/20 0.31
CHEK1 O14757 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL14553786 0.93 KMT2A (0.33) KMT2AMEN1ALDH1A1TSHRENPP2
SCHEMBL1684536 0.93 KMT2A (0.34) KMT2AMEN1ALDH1A1TSHRENPP2
SCHEMBL12239781 0.82 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1TSHRME2
SCHEMBL12239194 0.82 MEN1 (0.33) KMT2AMEN1ALDH1A1ENPP2ATXN2
SCHEMBL12238850 0.82 EPHX2 (0.36) KMT2AMEN1ALDH1A1TSHRENPP2
SCHEMBL12238986 0.82 YAP1 (0.40) ALDH1A1
SCHEMBL12824794 0.81 ME2 (0.38) KMT2AMEN1ALDH1A1TSHRENPP2
SCHEMBL12301813 0.81 ME2 (0.34) KMT2AMEN1ALDH1A1ENPP2ATXN2
SCHEMBL2844338 0.80 KMT2A (0.42) KMT2AMEN1ALDH1A1TSHRENPP2
SCHEMBL12238983 0.76 PLAU (0.40) KMT2AMEN1ALDH1A1

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
US-8039472-B2 Pyrazine-2-carboxamide derivatives to treat diseases mediated by blockade of the epithelial sodium channel NOVARTIS AG (CH) 2011-10-18 US disclosed
US-20100130506-A1 Organic Compounds NOVARTIS AG 2010-05-27 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-20100130506-A1 Organic Compounds OR10J3, REN, CACNA1E KMT2A 4325/4885MEN1 854/4885ALDH1A1 1317/4885

“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.