SCHEMBL21542059

SCHEMBL21542059

CN1CC(Nc2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 11/20 0.39
CD38 P28907 1/20 0.39
CCR4 P51679 1/20 0.39
PIP4K2C Q8TBX8 2/20 0.39
KAT2B Q92831 1/20 0.39
APP P05067 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CDC7 O00311 1/20 0.34
MAP4K4 O95819 1/20 0.34
PIM1 P11309 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34

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
SCHEMBL21542041 0.90 PIP4K2C (0.46) PTK2CCR4PIP4K2CKAT2BTRPV1
SCHEMBL21541973 0.89 APP (0.46) PTK2CD38CCR4PIP4K2CAPP
SCHEMBL21542071 0.86 PIP4K2C (0.40) PTK2CD38CCR4PIP4K2CAPP
SCHEMBL21542030 0.86 PTK2 (0.41) PTK2CD38CCR4PIP4K2CKAT2B
SCHEMBL30092980 0.85 PTK2 (0.49) PTK2CD38APPBCHEACHE
SCHEMBL21542069 0.83 CD38 (0.45) PTK2CD38CCR4PIP4K2CAPP
SCHEMBL21541997 0.81 CD38 (0.43) PTK2CD38CCR4PIP4K2CPDE1A
SCHEMBL21542060 0.80 CCR4 (0.48) PTK2CD38CCR4PIP4K2CAPP
SCHEMBL21541994 0.78 PIP4K2C (0.50) PTK2PIP4K2CAPPBCHEACHE
SCHEMBL20399166 0.78 CD38 (0.48) CD38CCR4PIP4K2CPDE1APDE1B

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 9 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-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 PTK2 2589/4885CD38 1803/4885CCR4 101/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PTK2 2209/4885CD38 3007/4885CCR4 3571/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PTK2 2780/4885CD38 1870/4885CCR4 752/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PTK2 2267/4885CD38 2960/4885CCR4 3139/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 PTK2 4744/4885CD38 1984/4885CCR4 2777/4885

“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.