SCHEMBL19640528

SCHEMBL19640528

CS(=O)(=O)N1CCC(C2(Nc3ncnc(N(Cc4ccc(C(F)(F)F)cc4)C4CC4)c3F)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTR2A P28223 1/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 3/20 0.35
JAK1 P23458 3/20 0.35
RORC P51449 2/20 0.34
CCR2 P41597 3/20 0.33
CCR5 P51681 2/20 0.33
IDH1 O75874 1/20 0.33
IDH2 P48735 1/20 0.33
EGFR P00533 1/20 0.32
PGR P06401 1/20 0.32
PTK2 Q05397 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
SCHEMBL19650934 0.95 CYP11B2 (0.35) CYP11B1CYP11B2LMNAKMT2AEPHX2
SCHEMBL19650794 0.85 RPS6KB1 (0.33) RORC
SCHEMBL19640403 0.84 CYP11B2 (0.41) CYP11B1CYP11B2LMNAKMT2AEPHX2
SCHEMBL17501483 0.84 CYP11B2 (0.39) CYP11B1CYP11B2LMNAKMT2AEPHX2
SCHEMBL19640517 0.83 CYP11B1 (0.37) CYP11B1CYP11B2LMNAKMT2AEPHX2
SCHEMBL17501296 0.83 KDM4E (0.49) CYP11B1CYP11B2KMT2AEPHX2KDM4E
SCHEMBL19640489 0.81 RORC (0.41) CYP11B1CYP11B2LMNAKMT2AEPHX2
SCHEMBL19640558 0.80 GRIN2B (0.36) CYP11B1CYP11B2LMNAKMT2AKDM4E
SCHEMBL19640472 0.80 RORC (0.41) CYP11B1CYP11B2LMNAKMT2AKDM4E
SCHEMBL19650849 0.79 RORC (0.39) CYP11B1CYP11B2KMT2AHTR2AJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CYP11B1 110/4885CYP11B2 118/4885LMNA 4085/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CYP11B1 110/4885CYP11B2 118/4885LMNA 4085/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CYP11B1 110/4885CYP11B2 118/4885LMNA 4085/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC CYP11B1 110/4885CYP11B2 118/4885LMNA 4085/4885

“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.