SCHEMBL21598071

SCHEMBL21598071

CCC(=N)Nc1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.42
KDR P35968 3/20 0.40
TEK Q02763 2/20 0.40
PTGFR P43088 1/20 0.39
CNR2 P34972 1/20 0.36
EPHB4 P54760 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
ALPL P05186 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 1/20 0.33
WDR5 P61964 1/20 0.33
LPAR1 Q92633 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
PTPN1 P18031 1/20 0.32
DDR1 Q08345 1/20 0.32

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
SCHEMBL21598025 0.82 HTT (0.48) POLBMAPTLPAR1
SCHEMBL21598041 0.81 SMN1; SMN2 (0.38) POLBMAPTLPAR1
SCHEMBL29918012 0.79 LPAR1 (0.39) POLBMAPTLPAR1
SCHEMBL3503509 0.78 ALDH1A1 (0.50) IDH1KDRTEKPTGFRCNR2
SCHEMBL12479066 0.77 IDH1 (0.50) IDH1KDRTEKPTGFRCNR2
SCHEMBL21598006 0.76 MAPT (0.53) POLBMAPT
SCHEMBL1242223 0.75 IDH1 (0.47) IDH1KDRTEKPTGFRCNR2
SCHEMBL24427621 0.74 IDH1 (0.48) IDH1KDRTEKPTGFRCNR2
SCHEMBL30832668 0.74 IDH1 (0.48) IDH1KDRTEKPTGFRCNR2
SCHEMBL7911718 0.73 KDR (0.53) IDH1KDRTEKPTGFREPHB4

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-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA IDH1 2050/4885KDR 1821/4885TEK 962/4885

“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.