SCHEMBL19082945

SCHEMBL19082945

Cc1nc(NCc2cnccn2)c2cc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAP4K4 O95819 1/20 0.37
VNN1 O95497 1/20 0.36
SYK P43405 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KCNH2 Q12809 1/20 0.35
TGFBR1 P36897 4/20 0.35
TGFBR2 P37173 4/20 0.35

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
SCHEMBL20119612 0.85 EGFR (0.38) EGFRMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL19082956 0.83 CYP1A2 (0.47) LMNATSHRHTTMEN1ALDH1A1
SCHEMBL19082950 0.82 TSHR (0.39) LMNATSHRHTTMEN1ALDH1A1
SCHEMBL19082947 0.81 LMNA (0.36) LMNATSHRHTTSYKHDAC6
SCHEMBL17017493 0.81 LMNA (0.42) LMNATSHRHTTEGFRMEN1
SCHEMBL19082969 0.79 CLK2 (0.40) LMNATSHRHTTSYKHDAC6
SCHEMBL3115968 0.78 TSHR (0.72) LMNATSHRHTTEGFRMEN1
SCHEMBL19082948 0.78 PRKCI (0.36) TGFBR1TGFBR2CLK2AURKBCLK4
SCHEMBL19082959 0.77 LMNA (0.36) LMNATSHRHTTSYKHDAC3
Rolodine SCHEMBL121916 0.74 NPY5R (0.49) LMNAMEN1ALDH1A1CYP3A4KMT2A

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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 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-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 LMNA 1132/4885TSHR 4608/4885HTT 96/4885

“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.