SCHEMBL3922236

SCHEMBL3922236

N#Cc1cn[c]nc1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
GRM5 P41594 4/20 0.39
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2651458 0.77 ADORA1 (0.50) KDM4ELMNAALDH1A1MAPTNPSR1
SCHEMBL20985616 0.77 KDM4E (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL11546311 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL558611 0.76 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29741178 0.73 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2651653 0.73 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL558176 0.72 SMN1; SMN2 (0.48) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL27792926 0.72 KDM4E (0.64) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9449076 0.71 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7556615 0.71 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286995-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES ARCHIMICA GMBH (DE) 2009-11-19 US disclosed
EP-2013220-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES Archimica GmbH (DE) 2009-01-14 EP disclosed
WO-2007121805-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES ARCHIMICA GMBH (DE) 2007-11-01 WO disclosed
US-4139623-A HYPOTENSIVE AGENTS C-G CORP. (US) 1979-02-13 US disclosed
US-4027027-A BETA-RECEPTOR-BLOCKERS, HYPOTENSIVES AND VALODILATORS; FOR TREATING ARRYTHMIAS AND ANGINA PECTORIS CIBA-GEIGY CORPORATION (US) 1977-05-31 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-20090286995-A1 METHOD FOR THE PRODUCTION OF BORONIC ACIDS CARRYING CYANOALKYL, CARBOXYL AND AMINOCARBONYL GROUPS AND THEIR DERIVATIVES BCAT1, BCAT2, SLC1A5 KDM4E 357/4885LMNA 557/4885CCR1 2630/4885

“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.