SCHEMBL907700

SCHEMBL907700

CC1CC(N)=NN1c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
ROCK1 Q13464 3/20 0.39
MAP4K4 O95819 2/20 0.39
PIM1 P11309 2/20 0.39
PRKACA P17612 2/20 0.39
FLT3 P36888 2/20 0.39
CLK2 P49760 2/20 0.39
CDK5 Q00535 2/20 0.39
MAP4K2 Q12851 2/20 0.39
DYRK1A Q13627 2/20 0.39
AURKB Q96GD4 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL22796294 0.82 CD274 (0.46) PDCD1CD274SMN1; SMN2PLD1ESD
SCHEMBL908008 0.80 KDM4E (0.38) PDCD1CD274SMN1; SMN2PLD1ESD
SCHEMBL10855110 0.78 ESD (0.53) PDCD1CD274POLBPLD1ESD
SCHEMBL7721905 0.76 L3MBTL1 (0.40) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL19866263 0.74 SMN1; SMN2 (0.56) HSD11B1PDCD1CD274POLBSMN1; SMN2
SCHEMBL11059805 0.71 MEN1 (0.41) POLBSMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL908132 0.69 HSD11B1 (0.40) HSD11B1ROCK1MAP4K4PIM1PRKACA
SCHEMBL19866242 0.69 SMN1; SMN2 (0.40) PDCD1CD274SMN1; SMN2ESDALDH1A1
SCHEMBL907974 0.67 PRKCZ (0.41) ABL1
SCHEMBL7719321 0.67 PRKCZ (0.40) SMN1; SMN2ALDH1A1HPGDMAPT

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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases MERCK SHARP & DOHME LIMITED (GB) 2011-01-06 US disclosed
EP-1987007-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LTD. (GB) 2008-11-05 EP disclosed
WO-2007093829-A1 3-AMINOPYRAZOLINES FOR TREATMENT OF NEURODEGENERATIVE AND PSYCHIATRIC DISEASES MERCK SHARP & DOHME LIMITED (GB) 2007-08-23 WO disclosed
US-4622401-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1986-11-11 US disclosed
EP-0070376-A1 Heterocyclic substituted-amino-pyrazolines AMERICAN CYANAMID COMPANY (US) 1983-01-26 EP 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-20110003862-A1 3-Animopyraolines for Treatment of Neurodegenerative and Psychiatric Diseases DAO, DDO, MAOA HSD11B1 1745/4885ROCK1 3441/4885MAP4K4 673/4885

“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.