SCHEMBL683941

SCHEMBL683941

COc1ccn2nc(C(C)C)c(C(=O)C(C)C)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PDE5A O76074 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
TSHR P16473 1/20 0.61
PDE4A P27815 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
CYP2C19 P33261 1/20 0.61
BLM P54132 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
PDE3B Q13370 1/20 0.61
PDE3A Q14432 1/20 0.61

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
SCHEMBL684215 0.83 PDE5A (0.68) MIFALDH1A1MEN1KMT2APDE5A
SCHEMBL684217 0.82 PDE5A (0.66) MIFALDH1A1MEN1KMT2APDE5A
SCHEMBL683947 0.81 PDE5A (0.64) MIFALDH1A1MEN1KMT2APDE5A
SCHEMBL683561 0.81 PDE5A (0.64) MIFALDH1A1MEN1KMT2APDE5A
SCHEMBL682721 0.80 MEN1 (0.59) MIFALDH1A1MEN1KMT2APDE5A
Ibudilast SCHEMBL30390 0.76 PDE4B (1.00) MIFALDH1A1MEN1KMT2APDE5A
Ibudilast SCHEMBL4194864 0.76 PDE4B (1.00) MIFALDH1A1MEN1KMT2APDE5A
Ibudilast SCHEMBL1123688 0.74 PDE4B (0.94) MIFALDH1A1MEN1KMT2APDE5A
Ibudilast SCHEMBL1123689 0.74 PDE4B (0.94) MIFALDH1A1MEN1KMT2APDE5A
SCHEMBL17321460 0.73 EPHB3 (0.56) ALDH1A1EPHB3KDM4EBAZ2BBAZ2A

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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF MIF 529/4885ALDH1A1 1565/4885MEN1 1910/4885

“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.