SCHEMBL29829338

SCHEMBL29829338

Cc1nc(NCc2cnc(CO)cn2)c2cn[nH]c2n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.38
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.35
USP2 O75604 2/20 0.35
CYP2D6 P10635 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
PLK4 O00444 5/20 0.34
PAK4 O96013 4/20 0.34
PDPK1 O15530 1/20 0.34
IGF1R P08069 1/20 0.34
FGFR1 P11362 1/20 0.34

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
SCHEMBL17017332 1.00 CYP1A2 (0.38) CYP1A2LMNATSHRHTTPOLB
SCHEMBL29828959 0.88 CYP3A4 (0.46) CYP1A2LMNATSHRALDH1A1CYP3A4
SCHEMBL17017496 0.88 CYP3A4 (0.46) CYP1A2LMNATSHRALDH1A1CYP3A4
SCHEMBL29829259 0.86 CYP1A2 (0.34) CYP1A2LMNATSHRHTTALDH1A1
SCHEMBL17017500 0.86 CYP1A2 (0.34) CYP1A2LMNATSHRHTTALDH1A1
SCHEMBL17017493 0.82 LMNA (0.42) CYP1A2LMNATSHRHTTPOLB
SCHEMBL19082950 0.81 TSHR (0.39) CYP1A2LMNATSHRHTTALDH1A1
SCHEMBL19065260 0.81 CYP1A2 (0.37) CYP1A2LMNATSHRHTTPOLB
SCHEMBL29829728 0.81 CYP1A2 (0.37) CYP1A2LMNATSHRHTTPOLB
SCHEMBL17017326 0.80 CYP1A2 (0.59) CYP1A2LMNATSHRHTTPOLB

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-20220274989-A9 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2022-09-01 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-20220274989-A9 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A CYP1A2 3043/4885LMNA 1287/4885TSHR 4608/4885

“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.