SCHEMBL21542053

SCHEMBL21542053

CC(C)N(C)c1nc(NCc2cccnc2C(F)(F)F)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.42
CYP1A2 P05177 5/20 0.41
CYP3A4 P08684 5/20 0.41
CYP2D6 P10635 5/20 0.41
TSHR P16473 4/20 0.41
CYP2C19 P33261 4/20 0.41
USP2 O75604 3/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
CD38 P28907 1/20 0.41
PIP4K2A P48426 1/20 0.41
SYK P43405 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP1 O94782 1/20 0.40

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
SCHEMBL30092857 1.00 TLR7 (0.42) TLR7CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21542066 0.89 PIP4K2C (0.43) PIP4K2CCD38SYKPTK2PTK2B
SCHEMBL29737521 0.84 CD38 (0.42) PIP4K2CCD38PTK2PTK2B
SCHEMBL26742606 0.83 PIP4K2A (0.46) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL30092920 0.81 BCHE (0.61) TLR7LMNAMEN1KMT2ACD38
SCHEMBL21542064 0.81 BCHE (0.61) TLR7LMNAMEN1KMT2ACD38
SCHEMBL20400596 0.79 APP (0.56) TLR7CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL21567292 0.76 PIP4K2C (0.39) PIP4K2CCD38PTK2PTK2B
SCHEMBL21541978 0.73 CD38 (0.43) PIP4K2CCD38SYKPTK2PTK2B
SCHEMBL21542060 0.72 CCR4 (0.48) TLR7PIP4K2CCD38PTK2PTK2B

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 TLR7 1083/4885CYP1A2 1763/4885CYP3A4 2545/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 TLR7 1825/4885CYP1A2 39/4885CYP3A4 153/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 TLR7 661/4885CYP1A2 1686/4885CYP3A4 2229/4885

“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.