SCHEMBL19082956

SCHEMBL19082956

Cc1cnc(CNc2nc(C)nc3[nH]ccc23)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 19/20 0.47
CYP3A4 P08684 19/20 0.47
CYP2D6 P10635 14/20 0.47
HSD17B10 Q99714 10/20 0.47
ALDH1A1 P00352 8/20 0.47
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
CLK4 Q9HAZ1 8/20 0.47
USP2 O75604 5/20 0.47
TSHR P16473 7/20 0.46
CYP2C19 P33261 12/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALOX15 P16050 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 3/20 0.44
HPGD P15428 2/20 0.44
TP53 P04637 2/20 0.44
RECQL P46063 2/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL19082950 0.88 TSHR (0.39) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL19082945 0.83 LMNA (0.44) CYP1A2CYP3A4HSD17B10ALDH1A1MEN1
SCHEMBL29828959 0.80 CYP3A4 (0.46) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL17017496 0.80 CYP3A4 (0.46) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL17017340 0.77 IGF1R (0.44) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL19082947 0.77 LMNA (0.36) CLK4TSHRLMNAHTT
Rolodine SCHEMBL121916 0.75 NPY5R (0.49) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL19082969 0.75 CLK2 (0.40) CLK4TSHRLMNAHTT
SCHEMBL19082961 0.74 SMN1; SMN2 (0.54) CYP1A2CYP3A4CYP2D6HSD17B10ALDH1A1
SCHEMBL19082959 0.73 LMNA (0.36) CLK4TSHRLMNAHTT

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 CYP1A2 4144/4885CYP3A4 4141/4885CYP2D6 3402/4885

“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.