SCHEMBL22492353

SCHEMBL22492353

O=S(=O)(Oc1ccnc2ccc(C(F)(F)F)cc12)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAK O14976 5/20 0.44
RIPK2 O43353 3/20 0.44
NLK Q9UBE8 2/20 0.44
EPHB6 O15197 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
EPHA1 P21709 1/20 0.44
EPHA8 P29322 1/20 0.44
TXK P42681 1/20 0.44
COQ8A Q8NI60 1/20 0.44
SLC22A12 Q96S37 2/20 0.44
EGFR P00533 2/20 0.44
STK16 O75716 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
IRAK3 Q9Y616 1/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
KDR P35968 3/20 0.40
AXL P30530 2/20 0.40

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
SCHEMBL19643620 0.89 GAK (0.44) GAKAAK1KDRDYRK3PRKD3
SCHEMBL591544 0.84 IDO1 (0.45) GAKSLC22A12CCNCCDK8AXL
SCHEMBL12367211 0.83 HTR1A (0.41) SLC22A12CDK8PRKD3CDK1CDK2
SCHEMBL26632797 0.83 NR4A2 (0.45) GAKRIPK2NLKABL1COQ8A
SCHEMBL3851998 0.83 SLC22A12 (0.56) GAKRIPK2NLKEPHB6ABL1
SCHEMBL632944 0.81 LMNA (0.52) GAKRIPK2NLKCOQ8ASLC22A12
SCHEMBL2594936 0.81 GAK (0.47) GAKRIPK2SLC22A12KDRMAPK14
SCHEMBL3576735 0.80 KDR (0.40) SLC22A12KDRMAPK14BRAFTNNI3K
SCHEMBL6590113 0.79 GAK (0.64) GAKRIPK2NLKEPHB6ABL1
SCHEMBL4853499 0.79 SLC2A1 (0.42) SLC22A12AXLIDO1ESR2

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 GAK 2265/4885RIPK2 620/4885NLK 3072/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 GAK 2265/4885RIPK2 620/4885NLK 3072/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 GAK 2265/4885RIPK2 620/4885NLK 3072/4885

“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.