SCHEMBL23136657

SCHEMBL23136657

O=C1c2cn(O)cc2N=C2N(c3ccccc3)CCC12O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP3A4 P08684 2/20 0.66
MAPT P10636 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
KDM4E B2RXH2 1/20 0.66
ALOX15 P16050 1/20 0.66
CASP1 P29466 1/20 0.66
MYH9 P35579 1/20 0.66
MYH10 P35580 1/20 0.66
CASP7 P55210 1/20 0.66
HBB P68871 1/20 0.66
MYH2 Q9UKX2 1/20 0.65
METAP2 P50579 11/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL26214026 0.86 MEN1 (0.68) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL18214930 0.86 KMT2A (0.74) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL21067295 0.86 KMT2A (0.74) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23137832 0.82 MEN1 (0.66) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL26214101 0.81 MEN1 (0.65) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23136659 0.81 MEN1 (0.65) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23000093 0.81 MEN1 (0.65) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23136655 0.81 MEN1 (0.65) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23909334 0.81 MEN1 (0.70) MEN1KMT2ACYP3A4MAPTCYP1A2
SCHEMBL23917036 0.81 MEN1 (0.77) MEN1KMT2ACYP3A4MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087201-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS EÖTVÖS LORÁND TUDOMÁNYEGYETEM (HU) 2021-03-25 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-20210087201-A1 PHARMACEUTICALLY EFFECTIVE COMPOUNDS INHIBITING SELECTIVELY THE MYOSIN 2 ISOFORMS MYH2, MYLK2, MYO1B MEN1 2122/4885KMT2A 3113/4885CYP3A4 1590/4885

“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.