SCHEMBL21598006

SCHEMBL21598006

CCC(=N)Nc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.53
FPR2 P25090 2/20 0.48
LMNA P02545 5/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.48
ALOX12 P18054 4/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
GRK2 P25098 1/20 0.45
RECQL P46063 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL1776718 0.80 MAPT (0.48) MAPTPOLBFPR2LMNANPC1
SCHEMBL21598025 0.78 HTT (0.48) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL22567812 0.78 MAPT (0.51) MAPTPOLBFPR2LMNANPC1
SCHEMBL21598010 0.77 MAPT (0.35) MAPTPOLBFPR2ALDH1A1KMT2A
SCHEMBL21598071 0.76 IDH1 (0.42) MAPTPOLB
SCHEMBL21598041 0.76 SMN1; SMN2 (0.38) MAPTPOLBLMNANPC1RAB9A
SCHEMBL6004945 0.74 SMN1; SMN2 (0.63) MAPTPOLBFPR2LMNANPC1
SCHEMBL29918012 0.74 LPAR1 (0.39) MAPTPOLBNPC1RAB9AALDH1A1
SCHEMBL29809375 0.74 HDAC1 (0.63) MAPTPOLBLMNANPC1RAB9A
SCHEMBL3472841 0.74 HDAC1 (0.63) MAPTPOLBLMNANPC1RAB9A

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 MAPT 334/4885POLB 3530/4885FPR2 1893/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA MAPT 637/4885POLB 3355/4885FPR2 1281/4885

“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.