SCHEMBL6930107

SCHEMBL6930107

Nc1nc2c(c3[nH]cnc13)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
BPTF Q12830 1/20 0.40
PDPK1 O15530 1/20 0.36
GDA Q9Y2T3 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ADORA2A P29274 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CDC7 O00311 2/20 0.35
DBF4 Q9UBU7 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
BCHE P06276 2/20 0.35
GRIN1 Q05586 2/20 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
SCHEMBL1140881 0.97 ACHE (0.41) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL6244651 0.95 ACHE (0.40) ACHEMEN1MAPK1KMT2ABPTF
SCHEMBL3350667 0.80 PDPK1 (0.33) PDPK1GDAPNPLMNADRD3
SCHEMBL2707307 0.77 NSD2 (0.40) ACHEMAPK1KDM4ENPSR1KDM5B
SCHEMBL3350655 0.76 UHRF1 (0.41) PDPK1GDANOS3NOS1NOS2
SCHEMBL1457529 0.76 PDPK1 (0.33) MEN1KMT2APDPK1GDAKDM4E
SCHEMBL4784920 0.70 PDPK1 (0.33) PDPK1GDALMNADRD3PI4KA
SCHEMBL5356574 0.68 BCHE (0.41) ACHEMEN1MAPK1KMT2AKDM4E
SCHEMBL8149683 0.67 PDPK1 (0.33) PDPK1GDALMNADRD3PI4KA
SCHEMBL14578065 0.67 PDPK1 (0.36) ACHEMEN1MAPK1KMT2ABPTF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743920-B2 CHORINATION REPLACING HYDROXYL GROUPS OF 2,4-DIHYROXY-3-NITROPYRIDINE DERIVATIVE; AMINATION, HYDROXYARYLATION, REDUCTION AND CYCLIZATION; AMINE REPLACEMENT OF PHENOXY FUNCTIONALITY 3M INNOVATIVE PROPERTIES COMPANY 2004-06-01 US disclosed
US-20030232852-A1 Process for imidazo[4,5-c]pyridin-4-amines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-18 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-20030232852-A1 Process for imidazo[4,5-c]pyridin-4-amines CPNE4, HTR4, IL4 ACHE 1268/4885MEN1 2947/4885MAPK1 1532/4885

“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.