SCHEMBL21542072

SCHEMBL21542072

CN1CCN(CCNc2nc(NCc3ccccc3C(F)(F)F)c3sccc3n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 5/20 0.41
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL21542004 0.94 PDE4A (0.47) POLBKDM4EALDH1A1HTR1AHTR2C
SCHEMBL21542068 0.92 CYP1A2 (0.48) ALDH1A1HTR1AHTR2CTSHRPDE4A
SCHEMBL26746206 0.89 PDE4A (0.46) POLBKDM4EALDH1A1PDE4APDE4B
SCHEMBL26746263 0.88 PDE4A (0.38) POLBHTR1AHTR2CTSHRPDE4A
SCHEMBL26741869 0.87 POLB (0.43) POLBKDM4EALDH1A1HTR1AHTR2C
SCHEMBL26746175 0.87 CYP1A2 (0.43) ALDH1A1TSHRPDE4APDE4BPDE4C
SCHEMBL21542013 0.83 RAD52 (0.42) PDE4APDE4BPDE4CPDE4DKCNH2
SCHEMBL20399086 0.82 PDE4A (0.57) POLBKDM4EALDH1A1HTR1AHTR2C
SCHEMBL21542011 0.82 PAK4 (0.46) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL21541987 0.81 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B

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 6 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-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
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 POLB 1540/4885KDM4E 4107/4885ALDH1A1 3360/4885
US-20230348460-A1 ANTI-WOLBACHIA PYRIDO[2,3-d]PYRIMIDINECOMPOUNDS PWWP2B, WARS1, PNPO POLB 687/4885KDM4E 2942/4885ALDH1A1 3694/4885
US-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 POLB 3869/4885KDM4E 2995/4885ALDH1A1 371/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 POLB 588/4885KDM4E 2562/4885ALDH1A1 3590/4885

“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.