SCHEMBL20488258

SCHEMBL20488258

Cc1nc(C(F)(F)F)ncc1C=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JUN P05412 4/20 0.35
NFKB1 P19838 4/20 0.35
NFKB2 Q00653 4/20 0.35
RELA Q04206 4/20 0.35
FOS P01100 3/20 0.35
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
CCNE2 O96020 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
HDAC9 Q9UKV0 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
PDE4B Q07343 1/20 0.30
TKT P29401 1/20 0.30
XPO1 O14980 1/20 0.30

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
SCHEMBL18187558 0.79 TKT (0.35) MALT1PDE4BTKT
SCHEMBL19302652 0.75 SORT1 (0.35) JUNNFKB1NFKB2RELAFOS
SCHEMBL21428809 0.74 MEN1 (0.39) KMT2A
Ammonia Solution, Strong SCHEMBL17353626 0.74 SORT1 (0.35) JUNNFKB1NFKB2RELAFOS
SCHEMBL19302653 0.73 TKT (0.38) JUNNFKB1NFKB2RELAFOS
SCHEMBL29953076 0.73 MEN1 (0.36) ALDH1A1KMT2AKDM4E
SCHEMBL25368592 0.72 TKT (0.37) JUNNFKB1NFKB2RELAFOS
SCHEMBL20487344 0.72 MALT1 (0.33) JUNNFKB1NFKB2RELAFOS
SCHEMBL21241462 0.72 TKT (0.31) JUNNFKB1NFKB2RELAFOS
SCHEMBL3925140 0.72 HTT (0.36) JUNNFKB1NFKB2RELAFOS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110337440-B Compounds useful for inhibition of ROR-gamma-t 伊莱利利公司 2021-08-03 CN disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 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-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA JUN 1386/4885NFKB1 608/4885NFKB2 430/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA JUN 1570/4885NFKB1 669/4885NFKB2 497/4885

“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.