SCHEMBL4729197

SCHEMBL4729197

Nc1nccnc1C(=NO)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
GRM4 Q14833 1/20 0.48
CDK8 P49336 2/20 0.44
KDR P35968 6/20 0.42
KIT P10721 3/20 0.42
FLT3 P36888 3/20 0.42
FLT1 P17948 2/20 0.42
FLT4 P35916 2/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
CSF1R P07333 1/20 0.42
LYN P07948 1/20 0.42
SRC P12931 1/20 0.42
BLK P51451 1/20 0.42
NTRK1 P04629 1/20 0.41
IKBKE Q14164 1/20 0.41
TDO2 P48775 3/20 0.41
AR P10275 1/20 0.41
BLM P54132 1/20 0.39
WRN Q14191 1/20 0.39

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
SCHEMBL4729189 1.00 RIPK1 (0.48) RIPK1GRM4CDK8KDRKIT
SCHEMBL14214640 0.84 RIPK1 (0.49) RIPK1GRM4CDK8KDRKIT
SCHEMBL14184768 0.82 MEN1 (0.47)
SCHEMBL2517447 0.81 IDO1 (0.46) RIPK1GRM4CDK8KDRKIT
SCHEMBL21118310 0.81 IDO1 (0.46) RIPK1GRM4CDK8KDRKIT
SCHEMBL2517446 0.81 IDO1 (0.46) RIPK1GRM4CDK8KDRKIT
SCHEMBL4728320 0.80 MAPT (0.54) RIPK1CDK8KDRKITFLT3
SCHEMBL4728326 0.80 MAPT (0.54) RIPK1CDK8KDRKITFLT3
SCHEMBL4729200 0.77 IDO1 (0.53) TDO2
SCHEMBL4368291 0.74 GRM4 (0.44) RIPK1GRM4CDK8KDRKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 US claimed
WO-2008036643-A2 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-05-22 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-20080119491-A1 AMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT RIPK1 2223/4885GRM4 976/4885CDK8 1216/4885

“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.