SCHEMBL5472892

SCHEMBL5472892

CC(=O)Nc1ccc(-c2ccnc(NC(=O)c3ccccc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.76
JAK3 P52333 1/20 0.73
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
KDM4E B2RXH2 2/20 0.65
GAA P10253 2/20 0.65
PRNP P04156 1/20 0.65
POLB P06746 1/20 0.65
IKBKB O14920 1/20 0.58
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP2C19 P33261 1/20 0.56
CAMK2D Q13557 2/20 0.56
MAPK8 P45983 1/20 0.54
MAPK10 P53779 1/20 0.54

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
SCHEMBL5466956 0.87 JAK2 (0.72) JAK2JAK3KMT2APOLBALDH1A1
SCHEMBL4378752 0.87 JAK2 (1.00) JAK2JAK3CAMK2DMAPK8
SCHEMBL5470852 0.87 ADORA1 (0.69) JAK2JAK3KDM4EMAPTRXFP1
SCHEMBL5473232 0.86 DYRK1A (0.63) JAK2JAK3MEN1KMT2AMAPT
SCHEMBL4383820 0.85 JAK2 (1.00) JAK2JAK3MEN1KMT2AKDM4E
SCHEMBL5472823 0.83 ADORA1 (0.57) JAK2JAK3MEN1KMT2AKDM4E
SCHEMBL5472470 0.83 ADORA3 (0.65) JAK2JAK3CAMK2DMAPK8MAPK10
SCHEMBL5472976 0.82 PIK3CA (0.59) JAK2KDM4EMAPTCAMK2DMAPK8
SCHEMBL19706531 0.82 NPC1 (0.71) JAK2JAK3MEN1KMT2AKDM4E
SCHEMBL4378143 0.81 JAK2 (0.90) JAK2JAK3MEN1KMT2AKDM4E

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-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR JAK2 2119/4885JAK3 3269/4885MEN1 2400/4885

“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.