SCHEMBL22492408

SCHEMBL22492408

Cc1cc(F)cc2c(=O)cc[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.48
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AR P10275 2/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PGR P06401 2/20 0.36
NR3C1 P04150 1/20 0.36
CFB P00751 1/20 0.35
LMNA P02545 1/20 0.34
P2RX7 Q99572 2/20 0.34
SCN8A Q9UQD0 1/20 0.33
SCN10A Q9Y5Y9 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
SCHEMBL7291123 0.80 CCR8 (0.50) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL22492390 0.79 CCR8 (0.48) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL30353207 0.78 CCR8 (0.44) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL7291754 0.76 CCR8 (0.46) CCR8KMT2AHSD17B10KDM4EADORA2A
SCHEMBL4484912 0.75 AHR (0.47) ARPGRNR3C1CFB
SCHEMBL11696777 0.75 CCR8 (0.58) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL22492452 0.75 CCR8 (0.44) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL6538005 0.73 CCR8 (0.43) CCR8KMT2AHSD17B10KDM4ESMN1; SMN2
SCHEMBL7291399 0.72 CCR8 (0.42) CCR8KMT2AHSD17B10KDM4EAR
SCHEMBL15371410 0.72 CCR8 (0.59) CCR8KMT2AHSD17B10KDM4ESMN1; 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 4536/4885HSD17B10 3743/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885HSD17B10 3743/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885HSD17B10 3743/4885

“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.