SCHEMBL6344602

SCHEMBL6344602

COC(=O)c1c(N)ccn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
NOTUM Q6P988 1/20 0.47
MAPK8 P45983 3/20 0.46
AR P10275 1/20 0.43
DAPK3 O43293 1/20 0.43
JAK2 O60674 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABL1 P00519 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKACA P17612 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
KDR P35968 1/20 0.43
MAPK9 P45984 1/20 0.43
CSNK1A1 P48729 1/20 0.43

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
SCHEMBL2886988 0.84 NOTUM (0.51) SMN1; SMN2CYP1A2NOTUMMAPK8AR
SCHEMBL14810395 0.75 MAPK8 (0.46) SMN1; SMN2CYP1A2MAPK8BRD4BRD2
SCHEMBL10068017 0.74 CYP1A2 (0.50) SMN1; SMN2CYP1A2MAPK8ARDAPK3
SCHEMBL23408461 0.74 SMN1; SMN2 (0.56) SMN1; SMN2CYP1A2MAPK8ALDH1A1TP53
SCHEMBL1243976 0.74 CNR2 (0.55) SMN1; SMN2CYP1A2NOTUMARKDM4E
SCHEMBL3941669 0.73 KDM4E (0.51) SMN1; SMN2CYP1A2MAPK8ARALDH1A1
SCHEMBL4273292 0.72 NOTUM (0.52) NOTUMMAPK8ARKDM4EBRD4
SCHEMBL4150352 0.72 PKM (0.62) SMN1; SMN2CYP1A2MAPK8ALDH1A1HSP90AA1
SCHEMBL23094452 0.72 MAPK14 (0.52) SMN1; SMN2NOTUMALDH1A1HSD17B10KDM4E
SCHEMBL182807 0.72 MAPK8 (0.57) SMN1; SMN2CYP1A2MAPK8ARALDH1A1

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-6946554-B2 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. (US) 2005-09-20 US disclosed
US-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives BIOCRYST PHARMACEUTICALS, INC. 2004-12-16 US disclosed
EP-0970029-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS INC. (US) 2000-01-12 EP disclosed
US-5650511-A MULTISTAGE REACTION OF ALDEHYDE OR KETONE WITH NITRILE GROUP TO FORM ENAMINE, REACTION OF ENAMINE WITH BASE TO FORM PYRROLE, THEN REACTION BIOCRYST PHARMACEUTICALS, INC. (US) 1997-07-22 US disclosed
WO-1997021653-A1 PROCESS FOR THE PREPARATION OF 9-DEAZAGUANINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 1997-06-19 WO 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-20040254181-A1 Process for the preparation of 9-deazaguanine derivatives ALKBH3, ALKBH2, ALKBH1 SMN1; SMN2 2036/4885CYP1A2 3591/4885NOTUM 3155/4885

“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.