SCHEMBL21542056

SCHEMBL21542056

CC(C)Nc1nc(NCc2ccc(C(F)(F)F)nc2)c2ccccc2n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.67
BCHE P06276 8/20 0.67
APP P05067 6/20 0.67
BCDIN3D Q7Z5W3 2/20 0.52
RAD52 P43351 1/20 0.50
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
UBE2N P61088 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RCE1 Q9Y256 1/20 0.49
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
MEN1 O00255 1/20 0.47
TLR7 Q9NYK1 1/20 0.46
CTNNB1 P35222 1/20 0.46
TCF7L2 Q9NQB0 1/20 0.46

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
SCHEMBL30092858 1.00 ACHE (0.67) ACHEBCHEAPPBCDIN3DRAD52
SCHEMBL21542062 0.85 CDK2 (0.51) ACHEBCHEAPPBCDIN3DKMT2A
SCHEMBL21542007 0.85 BCHE (0.47) ACHEBCHEAPPBCDIN3DKMT2A
SCHEMBL21567224 0.84 APP (0.77) ACHEBCHEAPPRAD52KMT2A
SCHEMBL30092996 0.84 APP (0.77) ACHEBCHEAPPRAD52KMT2A
SCHEMBL21542039 0.81 ADORA2A (0.56) ACHEBCHEAPPBCDIN3DCDK2
SCHEMBL21567336 0.81 APP (0.64) APPBCDIN3DRAD52KMT2ACDK2
SCHEMBL21567246 0.81 BCHE (0.83) ACHEBCHEAPPRAD52KMT2A
SCHEMBL1083781 0.80 MEN1 (0.66) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL21567223 0.79 ACHE (0.76) ACHEBCHEAPPRAD52KMT2A

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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-12-06 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US disclosed
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 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 (3 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-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO ACHE 1710/4885BCHE 3860/4885APP 3897/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 ACHE 297/4885BCHE 632/4885APP 2829/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 ACHE 1142/4885BCHE 3579/4885APP 4242/4885

“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.