SCHEMBL21542003

SCHEMBL21542003

Cc1ccc(Nc2ncnc3ccsc23)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.54
EGFR P00533 2/20 0.50
FADS1 O60427 1/20 0.50
PIP4K2C Q8TBX8 2/20 0.49
BRAF P15056 1/20 0.48
TNNI3K Q59H18 1/20 0.48
AURKA O14965 2/20 0.47
AURKB Q96GD4 2/20 0.47
TEK Q02763 1/20 0.47
FLT1 P17948 1/20 0.46
PIP4K2A P48426 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
MAPT P10636 2/20 0.44
SYK P43405 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL5317272 0.83 HTT (0.54) KDREGFRFADS1PIP4K2CBRAF
SCHEMBL5455935 0.80 EGFR (0.62) EGFRFADS1PIP4K2CBRAFTNNI3K
SCHEMBL5564611 0.77 KDR (0.71) KDREGFRPIP4K2CBRAFPIP4K2A
SCHEMBL5317153 0.75 EGFR (0.50) EGFRFADS1PIP4K2CBRAFTNNI3K
SCHEMBL21541979 0.75 ACVR1 (0.43) PDE4BMAPTIRAK4RAPGEF4RXFP1
SCHEMBL30092882 0.75 ACVR1 (0.43) PDE4BMAPTIRAK4RAPGEF4RXFP1
SCHEMBL14050059 0.74 KDR (0.64) KDREGFRPIP4K2CAURKBPIP4K2A
Hydrochloric Acid SCHEMBL5461690 0.74 EGFR (0.49) EGFRFADS1PIP4K2CBRAFTNNI3K
SCHEMBL5333554 0.74 KMT2A (0.67) EGFRFADS1MAPTLMNASMN1; SMN2
SCHEMBL24202109 0.73 KDR (0.55) KDRPIP4K2CPIP4K2AMAPTRAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190345157-A1 COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-14 US claimed
US-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2026-02-10 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS THE UNIVERSITY OF LIVERPOOL (GB) 2023-11-02 US disclosed
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 (4 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-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds CBR1, CBR3, COX6C KDR 1700/4885EGFR 2341/4885FADS1 3801/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO KDR 4779/4885EGFR 4435/4885FADS1 2970/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 KDR 4882/4885EGFR 4673/4885FADS1 2264/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 KDR 4816/4885EGFR 4282/4885FADS1 3654/4885

“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.