SCHEMBL22492333

SCHEMBL22492333

COC(=O)c1ccnc2ccc(NC(C)=O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 1/20 0.52
CDK1 P06493 1/20 0.51
DDR2 Q16832 1/20 0.49
KDM4E B2RXH2 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PSMD14 O00487 1/20 0.46
NPC1 O15118 3/20 0.46
MAPT P10636 3/20 0.46
RAB9A P51151 3/20 0.46
PABPC1 P11940 1/20 0.46
GLA P06280 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44

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
SCHEMBL27371112 0.86 LMNA (0.50) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL27371109 0.83 ATR (0.56) SMN1; SMN2KDM4EMEN1KMT2AALDH1A1
SCHEMBL30647636 0.83 LMNA (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL26965973 0.83 LMNA (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL24728976 0.80 LMNA (0.52) KDM4EMEN1KMT2ALMNAPSMD14
SCHEMBL22492429 0.80 LMNA (0.52) SMN1; SMN2TDP1KDM4EKMT2AALDH1A1
SCHEMBL30647543 0.80 LMNA (0.52) KDM4EMEN1KMT2ALMNAPSMD14
SCHEMBL22492342 0.78 PLA2G2A (0.54) KDM4ELMNAPSMD14
SCHEMBL22492354 0.78 KDM4E (0.54) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL20074656 0.78 L3MBTL1 (0.62) SMN1; SMN2KDM4EALDH1A1LMNAPSMD14

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 SMN1; SMN2 4537/4885TDP1 398/4885CDK1 909/4885
US-11312723-B2 Pyranopyrazole and pyrazolopyridine immunomodulators for treatment of autoimmune diseases TFPI, TFPI2, SERPINC1 SMN1; SMN2 4537/4885TDP1 398/4885CDK1 909/4885
US-20220213114-A1 PYRANOPYRAZOLE AND PYRAZOLOPYRIDINE IMMUNOMODULATORS FOR TREATMENT OF AUTOIMMUNE DISEASES TFPI, TFPI2, SERPINC1 SMN1; SMN2 4537/4885TDP1 398/4885CDK1 909/4885

“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.