SCHEMBL21118718

SCHEMBL21118718

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 4/20 0.46
▸ ACHE P22303 4/20 0.46
▸ RAD52 P43351 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ UBE2N P61088 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ APP P05067 3/20 0.42
▸ CASP6 P55212 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ KCNH3 Q9ULD8 1/20 0.39

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
SCHEMBL21119041 0.91 ACHE (0.54) BCHEACHERAD52LMNAKDM4E
SCHEMBL21118715 0.89 APP (0.47) BCHEACHEKMT2AAPPHPGD
SCHEMBL16280679 0.70 ACHE (0.80) BCHEACHERAD52LMNAKDM4E
SCHEMBL14869398 0.69 BCHE (0.65) BCHEACHERAD52LMNAKDM4E
SCHEMBL21055796 0.68 ACHE (0.54) BCHEACHERAD52LMNAKDM4E
SCHEMBL3298289 0.67 KCNH3 (0.73) RAD52LMNAKDM4EALDH1A1MAPT
SCHEMBL23598969 0.65 SMN1; SMN2 (0.50) BCHEACHERAD52LMNAKDM4E
SCHEMBL21055798 0.65 LMNA (0.59) BCHEACHERAD52LMNAKDM4E
SCHEMBL16579894 0.65 ACHE (0.58) BCHEACHERAD52LMNAKDM4E
SCHEMBL9350959 0.65 RAD52 (0.66) BCHEACHERAD52LMNAKDM4E

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 BCHE 224/4885ACHE 14/4885RAD52 1732/4885

“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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