SCHEMBL2954348

SCHEMBL2954348

CC(=O)c1cc(NC(CCCCCCCCC(=NNC(=N)N)Nc2cc(C(C)=NNC(=N)N)cc(C(C)=NNC(=N)N)c2)=NNC(=N)N)cc(C(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.59
DAPK3 O43293 3/20 0.59
ROCK2 O75116 3/20 0.59
CHEK2 O96017 3/20 0.59
CDK1 P06493 3/20 0.59
PIM1 P11309 3/20 0.59
RPS6KB1 P23443 3/20 0.59
CDK2 P24941 3/20 0.59
AKT1 P31749 3/20 0.59
AKT2 P31751 3/20 0.59
MAPKAPK2 P49137 3/20 0.59
RPS6KA3 P51812 3/20 0.59
NEK2 P51955 3/20 0.59
LIMK1 P53667 3/20 0.59
CDK5 Q00535 3/20 0.59
PRKCZ Q05513 3/20 0.59
PRKCD Q05655 3/20 0.59
PAK1 Q13153 3/20 0.59
STK3 Q13188 3/20 0.59
ROCK1 Q13464 3/20 0.59

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
SCHEMBL6334525 1.00 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL2274914 0.99 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974249 0.99 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974369 0.99 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974644 0.99 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5975382 0.99 CHEK1 (0.58) CHEK1DAPK3ROCK2CHEK2CDK1
SCHEMBL6329737 0.99 CHEK1 (0.60) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5973967 0.98 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1
SCHEMBL6326351 0.96 CHEK1 (0.60) CHEK1DAPK3ROCK2CHEK2CDK1
Hydrochloric Acid SCHEMBL5974367 0.95 CHEK1 (0.59) CHEK1DAPK3ROCK2CHEK2CDK1

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
EP-0963197-B1 GUANYLHYDRAZONES USEFUL FOR TREATING DISEASES ASSOCIATED WITH T CELL ACTIVATION CYTOKINE PHARMASCIENCES INC (US) 2010-01-06 EP claimed
US-5854289-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US claimed
EP-1255541-B1 AROMATIC GUANYLHYDRAZONE FOR THE TREATMENT OF RESISTANT VIRAL INFECTIONS BEVEC DORIAN (DE) 2005-11-09 EP disclosed
US-20050171176-A1 Pharmaceutically active aromatic guanylhydrazones BEVEC DORIAN (DE) 2005-08-04 US disclosed
US-20030203969-A1 Pharmaceutically active aromatic guanylhydrazones AXXIMA PHARMACEUTICALS AG (DE) 2003-10-30 US disclosed
EP-1255541-A2 PHARMACEUTICALLY ACTIVE AROMATIC GUANYLHYDRAZONES Axxima Pharmaceuticals Aktiengesellschaft (DE) 2002-11-13 EP disclosed
WO-2001056553-A2 PHARMACEUTICALLY ACTIVE AROMATIC GUANYLHYDRAZONES AXXIMA PHARMACEUTICALS AG (DE) 2001-08-09 WO disclosed
US-5859062-A ADMINISTERING TO TREAT INFLAMMATORY DISEASES MEDIATED BY TUMOR NECROSIS FACTOR THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-01-12 US 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 (2 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-20030203969-A1 Pharmaceutically active aromatic guanylhydrazones DHPS, GGPS1, GMPS CHEK1 4752/4885DAPK3 996/4885ROCK2 2908/4885
US-20050171176-A1 Pharmaceutically active aromatic guanylhydrazones DHPS, GGPS1, GMPS CHEK1 4743/4885DAPK3 1031/4885ROCK2 2934/4885

“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.