SCHEMBL5350091

SCHEMBL5350091

N=C(NN)c1nonc1N

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
IDO1 P14902 7/20 0.39
MAPT P10636 1/20 0.38
AKT1 P31749 1/20 0.37
BTK Q06187 1/20 0.37
PLEKHA1 Q9HB21 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
IKBKE Q14164 1/20 0.35
MCL1 Q07820 1/20 0.34

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
SCHEMBL150407 0.83 IDO1 (0.45) KMT2AIDO1MAPTPOLBHPGD
SCHEMBL14317086 0.81 KMT2A (0.42) KMT2AIDO1MAPTAKT1BTK
Hydrochloric Acid SCHEMBL19133467 0.81 IDO1 (0.44) KMT2AIDO1MAPTAKT1BTK
SCHEMBL179219 0.77
SCHEMBL5359897 0.72 KMT2A (0.36) KMT2AIDO1MAPTALDH1A1POLB
SCHEMBL12230770 0.71 KMT2A (0.37) KMT2AIDO1MAPTALDH1A1HTT
SCHEMBL12053000 0.70 IDO1 (0.50) KMT2AIDO1MAPTALDH1A1IKBKE
SCHEMBL179214 0.70 GAA (0.44) KMT2AMAPTALDH1A1HTTMCL1
SCHEMBL17624206 0.70 KMT2A (0.36) KMT2AIDO1MAPTALDH1A1POLB
SCHEMBL14950078 0.70 ALDH1A1 (0.52) KMT2AIDO1MAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 KMT2A 1498/4885IDO1 2426/4885MAPT 1028/4885

“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.