SCHEMBL21541992

SCHEMBL21541992

CNc1nc(NCc2ccccc2C(F)(F)F)c2cccnc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 2/20 0.54
CDC7 O00311 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
PRKACA P17612 1/20 0.50
CDK2 P24941 1/20 0.50
GSK3B P49841 1/20 0.50
HIPK2 Q9H2X6 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
KDM4E B2RXH2 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AURKB Q96GD4 1/20 0.43
EGFR P00533 1/20 0.43
CDK1 P06493 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL21542045 0.89 PIP4K2C (0.51) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21542029 0.87 PIP4K2C (0.53) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21542069 0.87 CD38 (0.45) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21541994 0.86 PIP4K2C (0.50) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL20399159 0.85 PIP4K2C (0.55) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21567283 0.85 PIP4K2C (0.55) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL20401649 0.85 PIP4K2C (0.55) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21542041 0.84 PIP4K2C (0.46) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL21542006 0.84 PIP4K2C (0.46) PIP4K2CCDC7MAP4K4PIM1PRKACA
SCHEMBL20399200 0.84 PIP4K2C (0.54) PIP4K2CCDC7MAP4K4PIM1PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 2323/4885CDC7 516/4885MAP4K4 4648/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PIP4K2C 298/4885CDC7 2593/4885MAP4K4 1813/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PIP4K2C 3380/4885CDC7 4707/4885MAP4K4 3416/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PIP4K2C 221/4885CDC7 3608/4885MAP4K4 2186/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 PIP4K2C 2488/4885CDC7 3462/4885MAP4K4 3490/4885

“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.