SCHEMBL19640436

SCHEMBL19640436

CS(=O)(=O)c1ccc(CNc2ncnc(N(Cc3ccc(C(F)(F)F)cc3)C3CC3)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.38
RORC P51449 6/20 0.37
EGFR P00533 1/20 0.36
AURKA O14965 4/20 0.36
RPS6KB1 P23443 4/20 0.36
AURKB Q96GD4 2/20 0.36
LMNA P02545 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PTGS2 P35354 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL19640507 0.92 RORC (0.35) PTK2RORCEGFR
SCHEMBL29398243 0.92 RORC (0.35) PTK2RORCEGFR
SCHEMBL19640606 0.90 PTK2 (0.38) PTK2RORCJAK2JAK1TYK2
SCHEMBL29400570 0.90 PTK2 (0.38) PTK2RORCJAK2JAK1TYK2
SCHEMBL17501512 0.87 NR3C1 (0.36) PTK2RORCEGFRAURKARPS6KB1
SCHEMBL19640398 0.86 EGFR (0.40) RORCEGFRAURKARPS6KB1AURKB
SCHEMBL29400234 0.86 VNN1 (0.40) RORCEGFRAURKARPS6KB1AURKB
SCHEMBL19640698 0.86 VNN1 (0.40) RORCEGFRAURKARPS6KB1AURKB
SCHEMBL29400051 0.85 KIF11 (0.41) RORCEGFRAURKARPS6KB1AURKB
SCHEMBL19640385 0.85 KIF11 (0.41) RORCEGFRAURKARPS6KB1AURKB

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-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
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 PTK2 4147/4885RORC 3/4885EGFR 1169/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC PTK2 4147/4885RORC 3/4885EGFR 1169/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC PTK2 4147/4885RORC 3/4885EGFR 1169/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC PTK2 4147/4885RORC 3/4885EGFR 1169/4885

“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.