SCHEMBL19640495

SCHEMBL19640495

NC(=O)Cc1ccc(CNc2ncnc(N(Cc3c(F)cccc3Cl)C3CC3)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RORC P51449 2/20 0.37
AURKA O14965 12/20 0.36
RPS6KB1 P23443 12/20 0.36
HTT P42858 1/20 0.36
AURKB Q96GD4 2/20 0.36
P2RX7 Q99572 1/20 0.35
PDPK1 O15530 1/20 0.34
GAA P10253 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
SCHEMBL29397658 1.00 ALDH1A1 (0.38) ALDH1A1MAPTKDM4ELMNARORC
SCHEMBL19640735 0.96 AURKA (0.38) ALDH1A1MAPTKDM4ELMNARORC
SCHEMBL29401706 0.92 RORC (0.36) RORCAURKARPS6KB1AURKBP2RX7
SCHEMBL19640663 0.92 RORC (0.36) RORCAURKARPS6KB1AURKBP2RX7
SCHEMBL29397707 0.90 AURKA (0.39) ALDH1A1KDM4ELMNARORCAURKA
SCHEMBL19640484 0.90 AURKA (0.39) ALDH1A1KDM4ELMNARORCAURKA
SCHEMBL19640764 0.87 AURKA (0.42) RORCAURKARPS6KB1AURKB
SCHEMBL19640448 0.83 RORC (0.38) RORCAURKARPS6KB1AURKB
SCHEMBL19650889 0.83 RORC (0.38) RORCAURKARPS6KB1AURKB
SCHEMBL19640477 0.83 RPS6KB1 (0.48) RORCAURKARPS6KB1AURKB

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 ALDH1A1 1245/4885MAPT 4397/4885KDM4E 3194/4885
US-20200392140-A1 OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC ALDH1A1 1245/4885MAPT 4397/4885KDM4E 3194/4885
US-20170342074-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC ALDH1A1 1245/4885MAPT 4397/4885KDM4E 3194/4885
US-10683293-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases PPARD, PPARG, RORC ALDH1A1 1245/4885MAPT 4397/4885KDM4E 3194/4885

“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.