SCHEMBL6446624

SCHEMBL6446624

CCc1nn(C)c(C(N)=O)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.43
TERT O14746 5/20 0.38
CDK8 P49336 2/20 0.35
MAPK8 P45983 2/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PRKACA P17612 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
MAP2K1 Q02750 1/20 0.35
PRKCQ Q04759 1/20 0.35
ACVR1 Q04771 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL617 0.86 SMN1; SMN2 (0.61) SMN1; SMN2GAATERTCDK8MAPK8
SCHEMBL15825839 0.85 GAA (0.43) SMN1; SMN2GAATERTKDM4ELMNA
Hydrochloric Acid SCHEMBL7813040 0.84 SMN1; SMN2 (0.60) SMN1; SMN2GAATERTCDK8MAPK8
SCHEMBL8055642 0.83 SMN1; SMN2 (0.48) SMN1; SMN2GAATERTCDK8MAPK8
SCHEMBL10918267 0.81 GAA (0.40) SMN1; SMN2GAAKDM4ELMNANPC1
SCHEMBL28038425 0.81 SMN1; SMN2 (0.39) SMN1; SMN2GAATERTCDK8CDK19
SCHEMBL7008426 0.81 SMN1; SMN2 (0.42) SMN1; SMN2TERTCDK8MAPK8DAPK3
SCHEMBL27488817 0.80 SMN1; SMN2 (0.48) SMN1; SMN2GAATERTKDM4ELMNA
SCHEMBL6717347 0.78 SMN1; SMN2 (0.43) SMN1; SMN2TERTCDK8MAPK8DAPK3
SCHEMBL13742735 0.77 SMN1; SMN2 (0.46) SMN1; SMN2TERTCDK8MAPK8DAPK3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3638227-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2020-04-22 EP disclosed
WO-2018229079-A1 SPIROCYCLIC INDOLINES AS IL-17 MODULATORS UCB BIOPHARMA SPRL (BE) 2018-12-20 WO disclosed
CN-105037346-A Pyrazol bi-amide compounds containing 1,2,3-thiadiazole and synthetic method and application thereof UNIV CHINA AGRICULTURAL 2015-11-11 CN disclosed
CN-102267986-B Pyrazole bisamide compounds as well as synthesis method and application thereof UNIV CHINA AGRICULTURAL 2014-04-16 CN disclosed
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
EP-1371647-B1 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER (US) 2005-07-13 EP disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
EP-1371647-A2 Pyridine-3-carboxylic acid derivatives and their use as intermediates PFIZER INC. (US) 2003-12-17 EP disclosed
EP-1073658-B1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER (US) 2003-08-13 EP disclosed
US-6458951-B2 FOR TREATMENT OF MALE ERECTILE DYSFUNCTION, FEMALE SEXUAL DYSFUNCTION PFIZER INC 2002-10-01 US disclosed
US-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction BUNNAGE MARK EDWARD (GB) 2001-11-08 US disclosed
US-6251904-B1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-06-26 US disclosed
EP-1073658-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 2001-02-07 EP disclosed
WO-1999054333-A1 PYRAZOLOPYRIMIDINONE CGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER INC. (US) 1999-10-28 WO 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 (1 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-20010039271-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B SMN1; SMN2 1854/4885GAA 3394/4885TERT 4439/4885

“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.