SCHEMBL328064

SCHEMBL328064

CCOC(=O)c1c[nH]c(C(N)=O)c1-c1ccc(N=O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.38
JAK2 O60674 11/20 0.38
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 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
SCHEMBL13462339 0.83 NPC1 (0.37) JAK3JAK2NPC1L3MBTL1MEN1
SCHEMBL327876 0.83 L3MBTL1 (0.39) JAK3JAK2NPC1L3MBTL1MEN1
SCHEMBL327910 0.82 JAK2 (0.41) JAK3JAK2MEN1KMT2AGABRA1
SCHEMBL275419 0.81 MAPT (0.41) JAK3JAK2NPC1L3MBTL1MEN1
SCHEMBL4488854 0.78 JAK2 (0.54) JAK3JAK2NPC1MEN1KMT2A
SCHEMBL13462389 0.78 NPC1 (0.41) JAK3JAK2NPC1L3MBTL1MEN1
SCHEMBL1924479 0.74 MAPT (0.55) JAK3JAK2NPC1MEN1KMT2A
SCHEMBL276472 0.73 MAPT (0.58) MEN1KMT2A
SCHEMBL743085 0.73 POLB (0.42) JAK3JAK2NPC1MEN1KMT2A
SCHEMBL10290252 0.72 L3MBTL1 (0.38) NPC1L3MBTL1MEN1KMT2AATM

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-8133995-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-13 US disclosed
US-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis BAYER HEALTHCARE LLV (US) 2009-11-12 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-20090281079-A1 Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated With Angiogenesis CDK4, FLT4, CDKL4 JAK3 580/4885JAK2 471/4885NPC1 4409/4885

“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.