SCHEMBL21722965

SCHEMBL21722965

FC(F)(F)c1ccc(-c2cnc(N3CCOCC3)nc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.50
DGAT1 O75907 1/20 0.50
SOAT1 P35610 1/20 0.50
PIK3CA P42336 2/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
CNR2 P34972 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SLC6A7 Q99884 1/20 0.47
AOC3 Q16853 1/20 0.47
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTOR P42345 2/20 0.46
CD274 Q9NZQ7 1/20 0.46
PIK3R1 P27986 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL15515210 0.83 PIK3CA (0.54) PIK3CACNR2NPC1RAB9AAOC3
SCHEMBL3409601 0.83 PIK3CA (0.54) PIK3CACNR2NPC1RAB9AAOC3
SCHEMBL6785729 0.82 ADRB1 (0.49) KCNH2SLC6A7MAPTKDM4EALDH1A1
SCHEMBL1742670 0.78 OGA (0.49) SLC6A7
SCHEMBL18151466 0.75 PIK3CA (0.71) PIK3CACNR2MTORPIK3R1POLB
SCHEMBL29151707 0.75 DGAT1 (0.61) KCNH2DGAT1SOAT1ALOX5APFEN1
SCHEMBL2203983 0.75 AKR1C3 (0.68) PIK3CANPC1RAB9ARXFP1MAPT
SCHEMBL5559514 0.74 KCNH2 (0.49) KCNH2DGAT1SOAT1PIK3CAABL1
SCHEMBL1443411 0.73 DGAT1 (0.56) KCNH2DGAT1SOAT1PIK3CAABL1
SCHEMBL29959269 0.73 MAPT (0.62) KCNH2DGAT1SOAT1ABL1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NAT CENTRE FOR BIOLOGICAL SCIENCES TIFR (IN) 2022-03-03 US disclosed
US-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NAT CENTRE FOR BIOLOGICAL SCIENCES TIFR (IN) 2022-03-03 US disclosed
EP-3836933-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION National Centre for Biological Sciences-TIFR (IN) 2021-06-23 EP disclosed
WO-2020035880-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) 2020-02-20 WO disclosed
WO-2020035880-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION NATIONAL CENTRE FOR BIOLOGICAL SCIENCES-TIFR (IN) 2020-02-20 WO 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 (1 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-20220062281-A1 INHIBITORS TO TARGET HIV-1 NEF-CD80/CD86 INTERACTIONS FOR THERAPEUTIC INTERVENTION CD4, CD14, CD69 KCNH2 4812/4885DGAT1 2811/4885SOAT1 1157/4885

“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.