SCHEMBL22492418

SCHEMBL22492418

CCc1cccc2c(=O)cc[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.55
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.42
MEN1 O00255 3/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
DAO P14920 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL7291871 0.80 CCR8 (0.48) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL15371410 0.77 CCR8 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL1245388 0.75 CCR8 (0.61) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL593512 0.75 AHR (0.50) DAO
SCHEMBL14667559 0.75 ALDH1A1 (0.60) KMT2ASMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL11205036 0.74 CCR8 (0.67) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL15367385 0.73 CCR8 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL15252375 0.73 KDM4E (0.61) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL29933981 0.73 KDM4E (0.61) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10
SCHEMBL6537697 0.73 CCR8 (0.59) CCR8KMT2AKDM4ESMN1; SMN2HSD17B10

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 4536/4885KDM4E 3175/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885KDM4E 3175/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CCR8 3547/4885KMT2A 4536/4885KDM4E 3175/4885

“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.