SCHEMBL21598041

SCHEMBL21598041

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 3/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 8/20 0.38
MEN1 O00255 7/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 1/20 0.36
RAB9A P51151 2/20 0.36
LPAR1 Q92633 1/20 0.36
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL21598057 0.83 HTT (0.50) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL21598025 0.82 HTT (0.48) POLBGAAKMT2AMEN1MAPT
SCHEMBL21598071 0.81 IDH1 (0.42) POLBMAPTLPAR1
SCHEMBL29918012 0.79 LPAR1 (0.39) POLBGAAKMT2AMEN1MAPT
SCHEMBL21598006 0.76 MAPT (0.53) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL21598039 0.73 KMT2A (0.36) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL28176626 0.70 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL3132506 0.68 TSHR (0.50) SMN1; SMN2GAAKMT2AMEN1MAPT
SCHEMBL682486 0.68 MAPK1 (0.43) SMN1; SMN2KMT2AMEN1MAPTALDH1A1
SCHEMBL2769659 0.67 PTGDR2 (0.32) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
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 (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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA SMN1; SMN2 4409/4885POLB 3530/4885GAA 3076/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA SMN1; SMN2 4286/4885POLB 3355/4885GAA 3847/4885

“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.