SCHEMBL21542006

SCHEMBL21542006

CC(C)Nc1nc(NCc2ccccc2C(F)(F)F)c2cccnc2n1.CS(=O)(=O)O

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2C Q8TBX8 1/20 0.46
PTK2 Q05397 14/20 0.44
PTK2B Q14289 1/20 0.44
CCR4 P51679 1/20 0.44
CDC7 O00311 1/20 0.43
MAP4K4 O95819 1/20 0.43
PIM1 P11309 1/20 0.43
PRKACA P17612 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
APP P05067 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP2C9 P11712 1/20 0.41

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 0.94 PIP4K2C (0.51) PIP4K2CPTK2PTK2BCCR4CDC7
SCHEMBL30093063 0.90 CCR4 (0.44) PIP4K2CPTK2PTK2BCCR4APP
SCHEMBL21542017 0.85 PTK2 (0.53) PIP4K2CPTK2PTK2BCYP2C9EPHX2
SCHEMBL30092914 0.85 CCR4 (0.43) PIP4K2CPTK2PTK2BCCR4APP
SCHEMBL21541992 0.84 PIP4K2C (0.54) PIP4K2CPTK2PTK2BCCR4CDC7
SCHEMBL21542016 0.83 BCHE (0.46) PIP4K2CPTK2PTK2BCCR4APP
SCHEMBL21542060 0.83 CCR4 (0.48) PIP4K2CPTK2PTK2BCCR4CDC7
SCHEMBL21567252 0.80 CD38 (0.47) PIP4K2CCCR4APPBCHEACHE
SCHEMBL29737567 0.80 CD38 (0.47) PIP4K2CCCR4APPBCHEACHE
SCHEMBL21567280 0.80 BCHE (0.66) CCR4APPBCHEACHE

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 4 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-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

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 PIP4K2C 2323/4885PTK2 2589/4885PTK2B 1371/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PIP4K2C 298/4885PTK2 2209/4885PTK2B 478/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PIP4K2C 3380/4885PTK2 2780/4885PTK2B 3554/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PIP4K2C 221/4885PTK2 2267/4885PTK2B 553/4885

“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.