SCHEMBL22492410

SCHEMBL22492410

CN1CCc2c(n[nH]c2N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 5/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 2/20 0.34
ADORA1 P30542 2/20 0.34
KMT2A Q03164 2/20 0.34
RAD52 P43351 1/20 0.34
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
NOS1 P29475 1/20 0.33
CHRM3 P20309 1/20 0.33
BRS3 P32247 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 2/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 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
SCHEMBL22492447 0.85 CYP2C19 (0.50) CYP2C19KDM4EALDH1A1HPGDMAPT
SCHEMBL22839279 0.84 CYP2C19 (0.37) CYP2C19
SCHEMBL13151081 0.79 CYP2C19 (0.46) CYP2C19KDM4EALDH1A1HPGDMAOA
SCHEMBL22492323 0.77 RAD52 (0.43) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL22492312 0.75 F12 (0.39) NPC1RAB9A
SCHEMBL28455192 0.74 F12 (0.40) KMT2AGAANPC1RAB9A
SCHEMBL28460855 0.73 P2RX7 (0.31)
SCHEMBL22492324 0.70 GAA (0.43) KDM4EALDH1A1HPGDMAPTBRS3
SCHEMBL16453436 0.68 CYP2C19 (0.50) CYP2C19KDM4EALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL19642877 0.67 ACHE (0.44) KDM4EALDH1A1MAPTKMT2AMEN1

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 CYP2C19 191/4885KDM4E 3175/4885ALDH1A1 1832/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 CYP2C19 191/4885KDM4E 3175/4885ALDH1A1 1832/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 CYP2C19 191/4885KDM4E 3175/4885ALDH1A1 1832/4885

“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.