SCHEMBL22492452

SCHEMBL22492452

C=Cc1cc(C)c2[nH]ccc(=O)c2c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.44
KMT2A Q03164 1/20 0.43
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HSD17B10 Q99714 2/20 0.34
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CFB P00751 3/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
P2RX7 Q99572 2/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7291123 0.76 CCR8 (0.50) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL22492390 0.75 CCR8 (0.48) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL22492408 0.75 CCR8 (0.48) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL7291754 0.72 CCR8 (0.46) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL11696777 0.71 CCR8 (0.58) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL7291399 0.69 CCR8 (0.42) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL15371410 0.68 CCR8 (0.59) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL21050763 0.67 CCR8 (0.47) CCR8KMT2AADORA2AADORA1HSD17B10
SCHEMBL15590124 0.67 CFB (0.38) CFBTRIM24TRIM33NR3C1P2RX7
SCHEMBL27927565 0.66 KIF11 (0.37) KMT2AHSD17B10ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2022-07-07 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases THE ROCKEFELLER UNIVERSITY (US) 2022-04-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
US-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES THE ROCKEFELLER UNIVERSITY (US) 2020-11-26 US disclosed
EP-3716972-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES The Rockefeller University (US) 2020-10-07 EP disclosed
CN-111670034-A Pyranopyrazoles and pyrazolopyridines immunomodulators for the treatment of autoimmune diseases 洛克菲勒大学 2020-09-15 CN 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 (3 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-20200369677-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885ADORA2A 3257/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885ADORA2A 3257/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885ADORA2A 3257/4885

“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.