SCHEMBL19640472

SCHEMBL19640472

CS(=O)(=O)N1CC(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.41
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
JAK1 P23458 4/20 0.35
JAK2 O60674 3/20 0.35
CYP3A4 P08684 1/20 0.35
CCRL2 O00421 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
IDO1 P14902 1/20 0.34
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 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
SCHEMBL19650933 0.95 RORC (0.40) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640489 0.94 RORC (0.41) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640403 0.92 CYP11B2 (0.41) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640595 0.89 RORC (0.39) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19650849 0.87 RORC (0.39) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640674 0.87 RORC (0.38) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19650937 0.86 RORC (0.39) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640414 0.83 RORC (0.40) RORCJAK1CYP3A4CCRL2JAK3
SCHEMBL17501181 0.83 RORC (0.34) RORCCYP11B1CYP11B2JAK1JAK2
SCHEMBL19640457 0.83 RORC (0.40) RORCCYP11B1CYP11B2JAK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177612-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2022-02-23 EP disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2022-02-22 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2020-12-17 US disclosed
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-16 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US disclosed
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-30 US 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 (4 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-11254681-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC RORC 3/4885CYP11B1 110/4885CYP11B2 118/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC RORC 3/4885CYP11B1 110/4885CYP11B2 118/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC RORC 3/4885CYP11B1 110/4885CYP11B2 118/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC RORC 3/4885CYP11B1 110/4885CYP11B2 118/4885

“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.