SCHEMBL20296352

SCHEMBL20296352

O[C@@H]1CCN(Cc2ccnc(Br)c2F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.43
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SYK P43405 4/20 0.40
CYP3A4 P08684 1/20 0.40
JAK3 P52333 1/20 0.40
TSHR P16473 1/20 0.39
PDCD1LG2 Q9BQ51 4/20 0.38
CD274 Q9NZQ7 4/20 0.38
ALDH1A1 P00352 1/20 0.38
LTA4H P09960 2/20 0.37
S1PR1 P21453 1/20 0.37
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL20296354 1.00 CCR5 (0.43) CCR5HDAC3HDAC4HDAC1HDAC2
SCHEMBL30740137 1.00 CCR5 (0.43) CCR5HDAC3HDAC4HDAC1HDAC2
SCHEMBL28868640 0.89 CD274 (0.44) CCR5SYKPDCD1LG2CD274
SCHEMBL28868545 0.82 ALDH1A1 (0.44) SYKPDCD1LG2CD274ALDH1A1S1PR1
SCHEMBL28868541 0.82 ALDH1A1 (0.44) SYKPDCD1LG2CD274ALDH1A1S1PR1
SCHEMBL29225552 0.78 ALDH1A1 (0.45) TSHRALDH1A1MAPTKDM4EPOLB
SCHEMBL30021389 0.75 CYP2D6 (0.49) ALDH1A1LTA4HKDM4E
SCHEMBL28868539 0.75 ALDH1A1 (0.45) TSHRCD274ALDH1A1MAPTKDM4E
SCHEMBL28957010 0.75 CD274 (0.36) PDCD1LG2CD274KDM4EHTT
SCHEMBL3825159 0.72 CCR5 (0.53) CCR5ALDH1A1KDM4EPOLBHTT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110582493-B Benzoxazole derivatives as immunomodulators 因赛特公司 2024-03-08 CN disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
US-11787793-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2023-10-17 US disclosed
EP-3558985-B1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORP (US) 2022-09-07 EP disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2022-06-23 US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-11339149-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2022-05-24 US disclosed
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2021-04-15 US disclosed
EP-3558985-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS Incyte Corporation (US) 2019-10-30 EP disclosed
US-20190225601-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2019-07-25 US disclosed
US-20190225601-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2019-07-25 US disclosed
US-10308644-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2019-06-04 US disclosed
US-10308644-B2 Heterocyclic compounds as immunomodulators INCYTE CORPORATION (US) 2019-06-04 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
WO-2018119266-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 WO disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2018-06-28 US disclosed
WO-2018119266-A1 BENZOOXAZOLE DERIVATIVES AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-06-28 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 (7 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-11339149-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-20210107900-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-20190225601-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-20220194931-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-11787793-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-10308644-B2 Heterocyclic compounds as immunomodulators CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885
US-20180179197-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD74, IL2, ICOS CCR5 98/4885HDAC3 772/4885HDAC4 987/4885

“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.