SCHEMBL21542019

SCHEMBL21542019

FC(F)(F)c1ncccc1CNc1nc(N2CCCCC2)nc2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.44
ACHE P22303 1/20 0.42
TRPV1 Q8NER1 5/20 0.42
KDM4E B2RXH2 3/20 0.41
GLA P06280 3/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIP4K2C Q8TBX8 1/20 0.41
CD38 P28907 1/20 0.39
MEN1 O00255 1/20 0.39
NPY1R P25929 1/20 0.39
KMT2A Q03164 1/20 0.39
CCNT1 O60563 1/20 0.38
CCNA2 P20248 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
SCHEMBL20399010 0.99 CCR4 (0.45) CCR4ACHETRPV1KDM4EGLA
SCHEMBL20399571 0.97 CCR4 (0.45) CCR4ACHETRPV1KDM4EGLA
SCHEMBL26748545 0.91 CCR4 (0.44) CCR4ACHETRPV1KDM4EGLA
SCHEMBL20399105 0.90 CCR4 (0.45) CCR4ACHEKDM4EPIP4K2CCD38
SCHEMBL21541963 0.90 PDE5A (0.48) CCR4ACHETRPV1KDM4EGAA
SCHEMBL20399082 0.89 CCR4 (0.41) CCR4ACHETRPV1PIP4K2CCD38
SCHEMBL26748424 0.89 CCR4 (0.44) CCR4ACHETRPV1KDM4EGLA
SCHEMBL27188518 0.89 PIP4K2C (0.49) CCR4ACHETRPV1KDM4EGLA
SCHEMBL21541983 0.88 CCR4 (0.44) CCR4ACHEKDM4EPIP4K2CCD38
SCHEMBL21541982 0.88 ACHE (0.47) CCR4ACHETRPV1HPGDPIP4K2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20190345157-A1 COMPOUNDS ABCB11, LTC4S, AQP1 CCR4 752/4885ACHE 297/4885TRPV1 399/4885
US-11518760-B2 Anti-Wolbachia pyrido[2,3-d]pyrimidine compounds P2RX5, PNPO, P2RX3 CCR4 3139/4885ACHE 1142/4885TRPV1 1038/4885

“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.