SCHEMBL22492335

SCHEMBL22492335

Nc1[nH]nc2c1CN(C(=O)OCc1ccccc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
F12 P00748 3/20 0.48
F2 P00734 2/20 0.48
KDR P35968 1/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL18926528 0.85 DHFR (0.51) DHFRMEN1KMT2AALDH1A1GAA
SCHEMBL22702773 0.82 DHFR (0.39) DHFRMEN1KMT2AALDH1A1GAA
SCHEMBL23706075 0.79 DHFR (0.58) DHFRTMEM97SIGMAR1KDR
SCHEMBL17868157 0.76 BRD4 (0.65) TMEM97SIGMAR1PTGDR2
SCHEMBL13984116 0.76 DHFR (0.66) DHFRMEN1KMT2AALDH1A1GAA
SCHEMBL16220576 0.76 DHFR (0.53) DHFRMEN1KMT2AALDH1A1GAA
SCHEMBL21855451 0.76 DPP4 (0.35)
SCHEMBL1464582 0.75 CCNA2 (0.47) DHFRMEN1KMT2AALDH1A1GAA
SCHEMBL22716563 0.75 PTGDR2 (0.42) DHFRTMEM97SIGMAR1F12KDR
SCHEMBL17327930 0.75 DHFR (0.52) DHFRMEN1KMT2AALDH1A1GAA

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 5 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-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
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 DHFR 1935/4885MEN1 2278/4885KMT2A 4536/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 DHFR 1935/4885MEN1 2278/4885KMT2A 4536/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 DHFR 1935/4885MEN1 2278/4885KMT2A 4536/4885

“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.