SCHEMBL20401649

SCHEMBL20401649

Oc1nc(NCc2ccccc2C(F)(F)F)c2cccnc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.55
KDM4E B2RXH2 2/20 0.51
AURKA O14965 1/20 0.49
RPS6KB1 P23443 1/20 0.49
AURKB Q96GD4 1/20 0.49
CDC7 O00311 1/20 0.48
MAP4K4 O95819 1/20 0.48
PIM1 P11309 1/20 0.48
PRKACA P17612 1/20 0.48
CDK2 P24941 1/20 0.48
GSK3B P49841 1/20 0.48
HIPK2 Q9H2X6 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
IRAK4 Q9NWZ3 1/20 0.48
EGFR P00533 1/20 0.44
CYP3A4 P08684 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL20406811 0.87 PIP4K2C (0.54) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL20399210 0.87 CD38 (0.48) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL21567283 0.86 PIP4K2C (0.55) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL20399159 0.86 PIP4K2C (0.55) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL20399200 0.85 PIP4K2C (0.54) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL21541992 0.85 PIP4K2C (0.54) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL21542029 0.84 PIP4K2C (0.53) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL20399707 0.83 RPS6KB1 (0.55) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL26742398 0.82 KDM4E (0.45) PIP4K2CKDM4EAURKARPS6KB1AURKB
SCHEMBL26748683 0.82 PIP4K2C (0.42) PIP4K2CKDM4EAURKARPS6KB1AURKB

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 11 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
WO-2018134685-A2 COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2018-07-26 WO claimed
US-12545675-B2 Anti-wolbachia pyrido[2,3-d]pyrimidine compounds LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2026-02-10 US disclosed
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2024-04-04 US disclosed
EP-4277631-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL Liverpool School of Tropical Medicine (GB) 2023-11-22 EP 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
WO-2022152918-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2022-07-21 WO 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 (5 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 PIP4K2C 2323/4885KDM4E 4107/4885AURKA 3910/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PIP4K2C 298/4885KDM4E 2942/4885AURKA 2811/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PIP4K2C 3380/4885KDM4E 2995/4885AURKA 4037/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PIP4K2C 221/4885KDM4E 2562/4885AURKA 2216/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 PIP4K2C 2488/4885KDM4E 533/4885AURKA 3643/4885

“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.