SCHEMBL19640694

SCHEMBL19640694

CS(=O)(=O)N1CC2CCC(Nc3ncnc(N(Cc4ccc(C(F)(F)F)cc4)C4CC4)c3F)C2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.37
CCR2 P41597 2/20 0.34
CCR5 P51681 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
JAK1 P23458 2/20 0.34
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL19650941 0.95 CACNA1B (0.35) CACNA1BCCR2CCR5CYP11B1CYP11B2
SCHEMBL24258279 0.86 CACNA1B (0.33) CACNA1B
SCHEMBL19640472 0.83 RORC (0.41) CCR2CCR5CYP11B1CYP11B2JAK1
SCHEMBL19640517 0.80 CYP11B1 (0.37) CCR2CCR5CYP11B1CYP11B2JAK1
SCHEMBL19640489 0.79 RORC (0.41) CYP11B1CYP11B2JAK1JAK2
SCHEMBL19640403 0.79 CYP11B2 (0.41) CYP11B1CYP11B2JAK1JAK2KDM4E
SCHEMBL19640558 0.78 GRIN2B (0.36) CCR2CCR5CYP11B1CYP11B2JAK1
SCHEMBL19650933 0.78 RORC (0.40) CYP11B1CYP11B2JAK1JAK2
SCHEMBL24258451 0.78 CCR2 (0.31) CCR2CCR5JAK1JAK2
SCHEMBL17501296 0.78 KDM4E (0.49) CYP11B1CYP11B2KDM4EALDH1A1

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 9 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-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 CACNA1B 4830/4885CCR2 753/4885CCR5 656/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CACNA1B 4830/4885CCR2 753/4885CCR5 656/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC CACNA1B 4830/4885CCR2 753/4885CCR5 656/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC CACNA1B 4830/4885CCR2 753/4885CCR5 656/4885

“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.