SCHEMBL21541997

SCHEMBL21541997

CC(C)(C)Nc1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.43
PIP4K2C Q8TBX8 2/20 0.43
CCR4 P51679 1/20 0.42
CDK2 P24941 2/20 0.37
CDC7 O00311 1/20 0.37
MAP4K4 O95819 1/20 0.37
PIM1 P11309 1/20 0.37
PRKACA P17612 1/20 0.37
GSK3B P49841 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
PTK2 Q05397 7/20 0.36
PTK2B Q14289 1/20 0.35
KDM4E B2RXH2 1/20 0.34
XPO1 O14980 1/20 0.34
PDE1A P54750 2/20 0.34
PDE1B Q01064 2/20 0.34
PDE1C Q14123 2/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL21542069 0.90 CD38 (0.45) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL21542060 0.86 CCR4 (0.48) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL20399166 0.84 CD38 (0.48) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL21541973 0.83 APP (0.46) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL20399464 0.81 CD38 (0.46) CD38PIP4K2CCDK2CDC7MAP4K4
SCHEMBL20399092 0.81 PIP4K2C (0.46) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL20399210 0.81 CD38 (0.48) CD38PIP4K2CCCR4CDK2CDC7
SCHEMBL20399162 0.81 CD38 (0.45) CD38PIP4K2CCCR4PTK2XPO1
SCHEMBL30093063 0.81 CCR4 (0.44) CD38PIP4K2CCCR4PTK2PTK2B
SCHEMBL21542059 0.81 PTK2 (0.39) CD38PIP4K2CCCR4CDK2CDC7

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 CD38 1803/4885PIP4K2C 2323/4885CCR4 101/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO CD38 3007/4885PIP4K2C 298/4885CCR4 3571/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CD38 1870/4885PIP4K2C 3380/4885CCR4 752/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CD38 2960/4885PIP4K2C 221/4885CCR4 3139/4885
US-20240108629-A1 AZAQUINAZOLINE DERIVATIVES FOR USE IN TREATING OR PREVENTING DIROFILARIA INFECTION IN A MAMMAL AQP3, AQP1, AQP4 CD38 1984/4885PIP4K2C 2488/4885CCR4 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.