SCHEMBL21542064

SCHEMBL21542064

CC(C)Nc1nc(NCc2cccnc2C(F)(F)F)c2ccccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.61
ACHE P22303 7/20 0.61
APP P05067 4/20 0.61
TLR7 Q9NYK1 3/20 0.46
RAD52 P43351 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
UBE2N P61088 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RCE1 Q9Y256 1/20 0.43
NPR1 P16066 1/20 0.43
CCR4 P51679 1/20 0.43
MEN1 O00255 1/20 0.43
CD38 P28907 1/20 0.42
SLC2A1 P11166 1/20 0.41
CCNE2 O96020 2/20 0.41

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
SCHEMBL30092920 1.00 BCHE (0.61) BCHEACHEAPPTLR7RAD52
SCHEMBL21542060 0.88 CCR4 (0.48) BCHEACHEAPPTLR7NPR1
SCHEMBL20400138 0.88 BCHE (0.45) BCHEACHEAPPTLR7NPR1
SCHEMBL21567280 0.84 BCHE (0.66) BCHEACHEAPPTLR7RAD52
SCHEMBL30092930 0.84 BCHE (0.66) BCHEACHEAPPTLR7RAD52
SCHEMBL30093063 0.83 CCR4 (0.44) BCHEACHEAPPCCR4CD38
SCHEMBL21542010 0.82 NPR1 (0.43) BCHEACHEAPPNPR1
SCHEMBL21542053 0.81 TLR7 (0.42) TLR7KMT2AALDH1A1LMNAMEN1
SCHEMBL30092857 0.81 TLR7 (0.42) TLR7KMT2AALDH1A1LMNAMEN1
SCHEMBL20400596 0.81 APP (0.56) APPTLR7KMT2ALMNAMEN1

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 BCHE 3860/4885ACHE 1710/4885APP 3897/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 BCHE 632/4885ACHE 297/4885APP 2829/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 BCHE 3579/4885ACHE 1142/4885APP 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.