SCHEMBL5359902

SCHEMBL5359902

CC(C)CN=C(N)c1nonc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
ALDH1A1 P00352 2/20 0.42
PKM P14618 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 3/20 0.39
IDO1 P14902 2/20 0.39
MEN1 O00255 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
AKT1 P31749 2/20 0.38
BTK Q06187 1/20 0.38
PLEKHA1 Q9HB21 1/20 0.38
MAPT P10636 2/20 0.37

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
SCHEMBL22063459 0.74 KMT2A (0.56) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14592144 0.71 KMT2A (0.53) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL150406 0.71 AKT1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14592141 0.71 AKT1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL122211 0.71 AKT1 (0.55) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5350096 0.71 KMT2A (0.53) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL20983704 0.70 AKT1 (0.58) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22672833 0.70 KMT2A (0.51) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19881757 0.66 KMT2A (0.44) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL179219 0.64

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
EP-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
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 1498/4885NPC1 2793/4885RAB9A 1214/4885

“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.