SCHEMBL20575299

SCHEMBL20575299

CC(C)Oc1cc(C#N)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.50
MAPT P10636 5/20 0.46
MERTK Q12866 2/20 0.44
PDK1 Q15118 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KAT2B Q92831 1/20 0.39
CYP19A1 P11511 2/20 0.38
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
EP300 Q09472 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL6113831 0.88 VCAM1 (0.54) VCAM1MAPTMERTKPDK1KMT2A
SCHEMBL31431218 0.86 VCAM1 (0.46) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL15174209 0.85 VCAM1 (0.50) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL224136 0.83 VCAM1 (0.54) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL2368600 0.81 VCAM1 (0.47) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL31432402 0.79 TRPV4 (0.54) VCAM1MAPTMERTKKMT2AMEN1
SCHEMBL28596701 0.78 VCAM1 (0.53) VCAM1MAPTMERTKPDK1KMT2A
SCHEMBL28870755 0.78 PDK1 (0.51) MAPTPDK1KMT2AMEN1MAPK1
SCHEMBL1340227 0.78 TSHR (0.56) MAPTPDK1KMT2AMEN1MAPK1
SCHEMBL31432638 0.77 MAPT (0.53) VCAM1MAPTMERTKKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775274-A 4-Anilino substituted pyrido [3,2-d ] pyrimidine compound and application thereof 沈阳药科大学 2025-04-08 CN disclosed
EP-3792264-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2024-01-03 EP disclosed
CN-108368114-B Pyrrolopyrimidine compounds as MNK inhibitors 生命弧度公司 2023-10-24 CN disclosed
EP-3792264-A1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LifeArc (GB) 2021-03-17 EP disclosed
EP-3377494-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2021-03-03 EP disclosed
EP-3377494-B1 PYRROPYRIMIDINE COMPOUNDS AS MNKS INHIBITORS LIFEARC (GB) 2021-03-03 EP disclosed
US-10604524-B2 Pyrropyrimidine compounds as MNKs inhibitors LIFE ARC (GB) 2020-03-31 US disclosed
US-20180346469-A1 Pyrropyrimidine Compounds As MNKS Inhibitors MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2018-12-06 US disclosed
CN-108368114-A Pyrrolopyrimidine compounds as MNK inhibitor 生命弧度公司 2018-08-03 CN 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 (2 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-20180346469-A1 Pyrropyrimidine Compounds As MNKS Inhibitors NR0B1, NR4A1, NR2E1 VCAM1 3232/4885MAPT 60/4885MERTK 252/4885
US-10604524-B2 Pyrropyrimidine compounds as MNKs inhibitors NR0B1, NR2E1, HRH4 VCAM1 3063/4885MAPT 36/4885MERTK 280/4885

“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.