SCHEMBL21119041

SCHEMBL21119041

C=C/C=c1/nc(NC)nc(NCc2ccccc2)/c1=C/C

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 7/20 0.54
▸ BCHE P06276 6/20 0.54
▸ LMNA P02545 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAD52 P43351 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ UBE2N P61088 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ APP P05067 5/20 0.41
▸ CTNNB1 P35222 4/20 0.38
▸ TCF7L2 Q9NQB0 4/20 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
SCHEMBL21118718 0.91 BCHE (0.46) ACHEBCHELMNAHPGDRAD52
SCHEMBL21118715 0.80 APP (0.47) ACHEBCHEHPGDKMT2AAPP
SCHEMBL14869398 0.72 BCHE (0.65) ACHEBCHELMNAHPGDRAD52
SCHEMBL16280669 0.71 ACHE (1.00) ACHEBCHELMNARAD52KDM4E
SCHEMBL20164615 0.67 BCHE (0.58) ACHEBCHELMNAHPGDRAD52
SCHEMBL14869431 0.67 GAA (0.73) ACHEBCHENPSR1
SCHEMBL15584268 0.66 ACHE (0.57) ACHEBCHELMNAHPGDRAD52
Hydrochloric Acid SCHEMBL20164600 0.66 CDK1 (0.57) ACHEBCHELMNAHPGDRAD52
SCHEMBL21055807 0.66 BCHE (0.72) ACHEBCHELMNARAD52KDM4E
SCHEMBL14869402 0.65 NPSR1 (0.64) ACHEBCHELMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof UNIVERSITY OF SOUTH FLORIDA (US) 2019-06-18 — — 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-10323007-B1 N2N N4-disubstituted quinazoline-2,4-diamines and uses thereof NQO2, NQO1, NIT2 ACHE 14/4885BCHE 224/4885LMNA 767/4885

“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.

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