SCHEMBL22787441

SCHEMBL22787441

CC(=O)c1ccc(C(F)P)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.44
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HPGD P15428 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HCAR3 P49019 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
P4HA1 P13674 1/20 0.33
P4HTM Q9NXG6 1/20 0.33
GAA P10253 1/20 0.33
HSD17B1 P14061 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 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
SCHEMBL29859790 0.85 KCNJ1 (0.42) KCNJ1MAPTLMNAPOLBNPSR1
SCHEMBL17823689 0.85 KCNJ1 (0.42) KCNJ1MAPTLMNAPOLBNPSR1
SCHEMBL11176498 0.79 KCNJ1 (0.44) KCNJ1MAPTLMNAPOLBNPSR1
SCHEMBL23396319 0.76 KCNJ1 (0.41) KCNJ1MAPTLMNAPOLBNPSR1
SCHEMBL2557109 0.74 KCNJ1 (0.40) KCNJ1MAPTHPGDKMT2AHCAR3
SCHEMBL2561347 0.74 KCNJ1 (0.40) KCNJ1MAPTHPGDKMT2AHCAR3
SCHEMBL30269694 0.72 P4HTM (0.54) KCNJ1MAPTLMNAPOLBHPGD
SCHEMBL5365695 0.72 P4HTM (0.54) KCNJ1MAPTLMNAPOLBHPGD
SCHEMBL15274452 0.71 KCNJ1 (0.46) KCNJ1MAPTLMNAHPGDL3MBTL1
SCHEMBL29790306 0.71 KCNJ1 (0.46) KCNJ1MAPTLMNAHPGDL3MBTL1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 KCNJ1 4210/4885MAPT 4397/4885LMNA 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 KCNJ1 4210/4885MAPT 4397/4885LMNA 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.