SCHEMBL21542017

SCHEMBL21542017

CS(=O)(=O)O.FC(F)(F)c1ccccc1CNc1nc(NC2CC2)nc2ncccc12

nearest known ligand 0.53

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 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 12/20 0.53
EPHX2 P34913 6/20 0.47
PIP4K2C Q8TBX8 1/20 0.45
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
PTK2B Q14289 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 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
SCHEMBL21541994 0.93 PIP4K2C (0.50) PTK2EPHX2PIP4K2CFLT3TYRO3
SCHEMBL30092980 0.90 PTK2 (0.49) PTK2PTK2B
SCHEMBL21542041 0.85 PIP4K2C (0.46) PTK2EPHX2PIP4K2CCYP3A4CYP2C9
SCHEMBL21542006 0.85 PIP4K2C (0.46) PTK2EPHX2PIP4K2CPTK2BCYP2C9
SCHEMBL21542063 0.85 PIP4K2C (0.48) PTK2EPHX2PIP4K2CFLT3TYRO3
SCHEMBL21542036 0.85 PIP4K2C (0.48) PTK2EPHX2PIP4K2C
SCHEMBL21541973 0.83 APP (0.46) PTK2PIP4K2C
SCHEMBL21541992 0.82 PIP4K2C (0.54) PTK2EPHX2PIP4K2CPTK2BCYP3A4
SCHEMBL21542045 0.79 PIP4K2C (0.51) PTK2EPHX2PIP4K2CPTK2BCYP2C9
SCHEMBL20399565 0.78 EPHX2 (0.45) PTK2EPHX2PIP4K2CCYP2C9

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 PTK2 2589/4885EPHX2 638/4885PIP4K2C 2323/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO PTK2 2209/4885EPHX2 928/4885PIP4K2C 298/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 PTK2 2780/4885EPHX2 77/4885PIP4K2C 3380/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 PTK2 2267/4885EPHX2 1073/4885PIP4K2C 221/4885

“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.