SCHEMBL14669368

SCHEMBL14669368

Nc1ccc2nc(-c3ccc4[nH]c(-c5ccc6[nH]cnc6c5)nc4c3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
RXFP1 Q9HBX9 3/20 0.64
CACNA1B Q00975 2/20 0.64
APBA1 Q02410 2/20 0.64
MAPT P10636 10/20 0.63
KDM4E B2RXH2 9/20 0.63
ALDH1A1 P00352 8/20 0.63
SMN1; SMN2 Q16637 8/20 0.63
HPGD P15428 7/20 0.63
POLB P06746 6/20 0.63
GLA P06280 4/20 0.63
BLM P54132 4/20 0.63
USP2 O75604 3/20 0.63
HSD17B10 Q99714 3/20 0.63
RECQL P46063 2/20 0.63
NFKB1 P19838 2/20 0.63
THRB P10828 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
PKM P14618 2/20 0.63

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
SCHEMBL21409923 0.97 MEN1 (0.68) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL21409922 0.93 MEN1 (0.53) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL3432144 0.88 MAPT (0.73) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL417622 0.88 MAPT (0.55) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL14669405 0.84 TCF4 (0.53) KDM4ESMN1; SMN2NPC1RAB9ACHEK2
SCHEMBL14669318 0.84 CHEK1 (0.56) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL18806843 0.84 MEN1 (0.52) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL2686936 0.83 NPC1 (0.54) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL15443982 0.83 MEN1 (0.87) MEN1KMT2ARXFP1CACNA1BAPBA1
SCHEMBL14859469 0.82 NPC1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1

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-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 US disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 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-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE PCNA, CD2BP2, BPGM MEN1 3125/4885KMT2A 2501/4885RXFP1 4850/4885

“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.